| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:54:34 UTC |
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| Update Date | 2020-04-22 15:10:47 UTC |
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| BMDB ID | BMDB0002360 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Erythrodiol |
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| Description | Erythrodiol, also known as 3beta-erythrodiol or oleanolic alcohol, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Based on a literature review a significant number of articles have been published on Erythrodiol. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (3beta)-Olean-12-ene-3,28-diol | ChEBI | | 3beta,28-Dihydroxy-ole-12-ene | ChEBI | | 3beta-Erythrodiol | ChEBI | | Oleanolic alcohol | ChEBI | | (3b)-Olean-12-ene-3,28-diol | Generator | | (3Β)-olean-12-ene-3,28-diol | Generator | | 3b,28-Dihydroxy-ole-12-ene | Generator | | 3Β,28-dihydroxy-ole-12-ene | Generator | | 3b-Erythrodiol | Generator | | 3Β-erythrodiol | Generator | | Olean-12-ene-3beta,28-diol | HMDB |
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| Chemical Formula | C30H50O2 |
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| Average Molecular Weight | 442.728 |
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| Monoisotopic Molecular Weight | 442.38108085 |
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| IUPAC Name | (3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol |
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| Traditional Name | erythrodiol |
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| CAS Registry Number | 545-48-2 |
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| SMILES | [H][C@@]12CC(C)(C)CC[C@]1(CO)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C |
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| InChI Identifier | InChI=1S/C30H50O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1 |
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| InChI Key | PSZDOEIIIJFCFE-OSQDELBUSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Prenol lipids |
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| Sub Class | Triterpenoids |
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| Direct Parent | Triterpenoids |
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| Alternative Parents | |
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| Substituents | - Triterpenoid
- Cyclic alcohol
- Secondary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- Alcohol
- Aliphatic homopolycyclic compound
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| Molecular Framework | Aliphatic homopolycyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Cell membrane
- Cytoplasm
- Membrane
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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| Synthesis Reference | Corey, E. J.; Lee, Jaemoon. Enantioselective total synthesis of oleanolic acid, erythrodiol, b-amyrin, and other pentacyclic triterpenes from a common intermediate. Journal of the American Chemical Society (1993), 115(19), 8873-4. |
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