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24-METHYLCHOLESTA-5,24(28)-DIENE-3-BETA,19-DIOL-7-ONE

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24-METHYLCHOLESTA-5,24(28)-DIENE-3-BETA,19-DIOL-7-ONE
SpectraBase Compound ID 56Q7iS46vRZ
InChI InChI=1S/C28H44O3/c1-17(2)18(3)6-7-19(4)22-8-9-23-26-24(11-12-27(22,23)5)28(16-29)13-10-21(30)14-20(28)15-25(26)31/h15,17,19,21-24,26,29-30H,3,6-14,16H2,1-2,4-5H3/t19-,21+,22-,23+,24+,26+,27-,28-/m1/s1
InChIKey FGABCPDHQVLZCA-JWLCXGMDSA-N
Mol Weight 428.7 g/mol
Molecular Formula C28H44O3
Exact Mass 428.329045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4puB0KJWHib
Name (3S,8S,9S,10S,13R,14S,17R)-10-(hydroxymethyl)-13-methyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-3-oxidanyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H44O3
InChI InChI=1S/C28H44O3/c1-17(2)18(3)6-7-19(4)22-8-9-23-26-24(11-12-27(22,23)5)28(16-29)13-10-21(30)14-20(28)15-25(26)31/h15,17,19,21-24,26,29-30H,3,6-14,16H2,1-2,4-5H3/t19-,21+,22-,23+,24+,26+,27-,28-/m1/s1
InChIKey FGABCPDHQVLZCA-JWLCXGMDSA-N
Molecular Weight 428.657 g/mol
SMILES O[C@@]1(CC2=CC([C@]3([C@]4([C@](CC[C@@]3([C@@]2(CO)CC1)[H])([C@](CC4)([C@@](CCC(=C)C(C)C)(C)[H])[H])C)[H])[H])=O)[H]
SPLASH splash10-0cdl-9201100000-b35cf2b02d68921c9824
Source of Spectrum G4-61-1024-2
Synonyms (3S,8S,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-3-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one (3S,8S,9S,10S,13R,14S,17R)-3-hydroxy-10-(hydroxymethyl)-13-methyl-17-[(2R)-6-methyl-5-methyleneheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one (3S,8S,9S,10S,13R,14S,17R)-3-hydroxy-10-(hydroxymethyl)-13-methyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one (3S,8S,9S,10S,13R,14S,17R)-3-hydroxy-17-[(1R)-4-isopropyl-1-methyl-pent-4-enyl]-13-methyl-10-methylol-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
Wiley ID 1607354