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(10S,13R,14R,17R)-17-[(1R,4S)-4,5-dihydroxy-1,5-dimethyl-hexyl]-4,4,10,13,14-pentamethyl-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione

View entire compound with spectra: 1 MS (GC)

(10S,13R,14R,17R)-17-[(1R,4S)-4,5-dihydroxy-1,5-dimethyl-hexyl]-4,4,10,13,14-pentamethyl-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione
SpectraBase Compound ID 4NDC7dNw441
InChI InChI=1S/C30H48O4/c1-18(9-10-24(33)27(4,5)34)19-11-16-30(8)25-20(12-15-29(19,30)7)28(6)14-13-23(32)26(2,3)22(28)17-21(25)31/h18-19,22,24,33-34H,9-17H2,1-8H3/t18-,19-,22?,24+,28-,29-,30+/m1/s1
InChIKey LVGCWXNRZNCAJG-GEAMXTKRSA-N
Mol Weight 472.7 g/mol
Molecular Formula C30H48O4
Exact Mass 472.35526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID COS8WoLjYaK
Name (10S,13R,14R,17R)-17-[(1R,4S)-4,5-dihydroxy-1,5-dimethyl-hexyl]-4,4,10,13,14-pentamethyl-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O4
InChI InChI=1S/C30H48O4/c1-18(9-10-24(33)27(4,5)34)19-11-16-30(8)25-20(12-15-29(19,30)7)28(6)14-13-23(32)26(2,3)22(28)17-21(25)31/h18-19,22,24,33-34H,9-17H2,1-8H3/t18-,19-,22?,24+,28-,29-,30+/m1/s1
InChIKey LVGCWXNRZNCAJG-GEAMXTKRSA-N
Molecular Weight 472.710 g/mol
SMILES OC([C@](CC[C@]([C@@]1([C@@]2([C@](C3=C([C@]4(CCC(C(C4CC3=O)(C)C)=O)C)CC2)(CC1)C)C)[H])(C)[H])(O)[H])(C)C
SPLASH splash10-009i-0002900000-5349a9272f20f107f907
Source of Spectrum E2-46-1610-1
Synonyms (10S,13R,14R,17R)-17-[(1R,4S)-4,5-dihydroxy-1,5-dimethyl-hexyl]-4,4,10,13,14-pentamethyl-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-quinone (10S,13R,14R,17R)-17-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione (10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R,5S)-6-methyl-5,6-bis(oxidanyl)heptan-2-yl]-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione
Wiley ID 1554584