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(3S,5S,10S,13R,17R)-10,13-dimethyl-17-[(1R,4R)-1,4,5-trimethylhexyl]-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

View entire compound with spectra: 1 MS (GC)

(3S,5S,10S,13R,17R)-10,13-dimethyl-17-[(1R,4R)-1,4,5-trimethylhexyl]-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID 8kyPJ5MNNlh
InChI InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h12,18-22,24,29H,7-11,13-17H2,1-6H3/t19-,20-,21+,22+,24-,27+,28-/m1/s1
InChIKey ZWTGNSZOWCZDDE-UMGCSCDJSA-N
Mol Weight 398.7 g/mol
Molecular Formula C28H46O
Exact Mass 398.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BsCaa28FEuN
Name (3S,5S,10S,13R,17R)-10,13-dimethyl-17-[(1R,4R)-1,4,5-trimethylhexyl]-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O
InChI InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h12,18-22,24,29H,7-11,13-17H2,1-6H3/t19-,20-,21+,22+,24-,27+,28-/m1/s1
InChIKey ZWTGNSZOWCZDDE-UMGCSCDJSA-N
Molecular Weight 398.675 g/mol
SMILES O[C@@]1(C[C@@]2(CCC=3C=4[C@@]([C@@]([C@@](CC[C@](C(C)C)(C)[H])(C)[H])(CC4)[H])(CCC3[C@]2(CC1)C)C)[H])[H]
SPLASH splash10-00lr-0019000000-b18eb5e1a812bda9439c
Source of Spectrum KC-0-1701-5
Synonyms (3S,5S,10S,13R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 831023