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17-(2,3-dihydroxy-1,4,5-trimethyl-hexyl)-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

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17-(2,3-dihydroxy-1,4,5-trimethyl-hexyl)-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
SpectraBase Compound ID HHEVQnlk0iW
InChI InChI=1S/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3
InChIKey VYUIKSFYFRVQLF-UHFFFAOYSA-N
Mol Weight 464.7 g/mol
Molecular Formula C28H48O5
Exact Mass 464.350175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Frrk3bt3YXW
Name 17-(2,3-dihydroxy-1,4,5-trimethyl-hexyl)-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Alternate Name(s) 17-(3,4-dihydroxy-5,6-dimethylheptan-2-yl)-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one 17-[5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3-bis(oxidanyl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
CAS Registry Number 72050-71-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O5
InChI InChI=1S/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3
InChIKey VYUIKSFYFRVQLF-UHFFFAOYSA-N
Molecular Weight 464.687 g/mol
SMILES OC1CC2C(C3C(C4C(C(C(C(C(O)C(C)C(C)C)O)C)CC4)(CC3)C)CC2=O)(CC1O)C
SPLASH splash10-01ot-3976000000-22d4064185437794f6ed
Wiley ID 1462417