1.0 2016-09-30 22:53:22 UTC 2020-04-22 15:10:26 UTC BMDB0002268 BMDB02268 Beta-Cryptoxanthin Cryptoxanthin b-Cryptoxanthin Β-cryptoxanthin Beta Cryptoxanthin Cryptoxanthins beta-Caroten-3-ol Beta Caroten 3 ol (3R)-Cryptoxanthin (3R)-beta,beta-Caroten-3-ol (3R)-beta-Cryptoxanthin (3R)-Β,β-caroten-3-ol (3R)-Β-cryptoxanthin (R)-all-trans-beta-Caroten-3-ol (R)-all-trans-Β-caroten-3-ol 3-Hydroxy-beta-carotene 3-Hydroxy-β-carotene Caricaxanthin Cryptoxanthine Cryptoxanthol Kryptoxanthin Neo-beta-cryptoxanthin Neo-β-cryptoxanthin all-trans-Cryptoxanthin all-trans-Cryptoxanthol all-trans-Neocryptoxanthin all-trans-Neocryptoxanthol all-trans-beta-Cryptoxanthin all-trans-Β-cryptoxanthin trans-Cryptoxanthin trans-beta-Crytoxanthin trans-Β-crytoxanthin Β-caroten-3-ol beta-Cryptoxanthin C40H56O 552.887 552.433116423 (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-ol cryptoxanthin 472-70-8 C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1 DMASLKHVQRHNES-FKKUPVFPSA-N belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone. Organic compounds Lipids and lipid-like molecules Prenol lipids Tetraterpenoids Xanthophylls Hydrocarbon derivatives Secondary alcohols Alcohol Aliphatic homomonocyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Xanthophyll Aliphatic homomonocyclic compounds C40 isoprenoids (tetraterpenes) C40 isoprenoids (tetraterpenes) Carotenoids carotenol Solid logp 9.08 ALOGPS logs -6.04 ALOGPS logp 9.74 ChemAxon pka_strongest_acidic 18.91 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-ol ChemAxon average_mass 552.887 ChemAxon mono_mass 552.433116423 ChemAxon smiles C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C ChemAxon formula C40H56O ChemAxon inchi InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1 ChemAxon inchikey DMASLKHVQRHNES-FKKUPVFPSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 193.28 ChemAxon polarizability 72.71 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 103512 Specdb::CMs 281803 Specdb::CMs 337663 Specdb::MsMs 240775 Specdb::MsMs 240776 Specdb::MsMs 240777 Specdb::MsMs 242830 Specdb::MsMs 242831 Specdb::MsMs 242832 Specdb::MsMs 1470819 Specdb::MsMs 1470822 Specdb::MsMs 1471332 Specdb::MsMs 1473579 Specdb::MsMs 1473580 Specdb::MsMs 1473581 Specdb::MsMs 1473582 Specdb::MsMs 1473583 Specdb::MsMs 1473584 Specdb::MsMs 1473585 Specdb::MsMs 1473586 Specdb::MsMs 1473587 Specdb::MsMs 1473588 Specdb::MsMs 1474267 Specdb::MsMs 1474268 Specdb::MsMs 1474269 Specdb::MsMs 1474270 Specdb::MsMs 1474271 Specdb::MsMs 1474272 FDB097255 4444647 5281235 C08591 10362 C00000920 CPD-7409 Cryptoxanthin Khachik, Frederick; Liu, Yufa; Showalter, Holly. Process for the preparation of alpha- and beta-cryptoxanthin from lutein and/or lutein esters by catalytic hydrogenation. U.S. Pat. Appl. Publ. (2006), 17 pp.