For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(2S,3S,5S,8S,9S,10R,13S,14S,17R)-3-bromanyl-17-[(2S,3R,4R,5R)-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

View entire compound with spectra: 1 MS (GC)

(2S,3S,5S,8S,9S,10R,13S,14S,17R)-3-bromanyl-17-[(2S,3R,4R,5R)-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
SpectraBase Compound ID 1tLlmFXgtwv
InChI InChI=1S/C28H47BrO4/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-23(30)21-12-22(29)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-22,24-26,31-33H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,22+,24+,25-,26-,27-,28-/m1/s1
InChIKey XSKQGLDQSFELLY-NCYNIRJJSA-N
Mol Weight 527.6 g/mol
Molecular Formula C28H47BrO4
Exact Mass 526.265773 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID E48Czzu0oSk
Name (2S,3S,5S,8S,9S,10R,13S,14S,17R)-3-bromanyl-17-[(2S,3R,4R,5R)-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H47BrO4
InChI InChI=1S/C28H47BrO4/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-23(30)21-12-22(29)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-22,24-26,31-33H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,22+,24+,25-,26-,27-,28-/m1/s1
InChIKey XSKQGLDQSFELLY-NCYNIRJJSA-N
Molecular Weight 527.584 g/mol
SMILES O[C@@]([C@@]([C@]([C@@]1([C@]2(CC[C@]3([C@@]([C@@]2(CC1)[H])([H])CC([C@@]1([C@@]3(C[C@@]([C@@](Br)(C1)[H])(O)[H])C)[H])=O)[H])C)[H])(C)[H])(O)[H])([C@@](C(C)C)(C)[H])[H]
SPLASH splash10-004i-0000900000-f7051ecd9565a860709e
Source of Spectrum KC-0-1497-12
Synonyms (2S,3S,5S,8S,9S,10R,13S,14S,17R)-3-bromo-17-[(1S,2R,3R,4R)-2,3-dihydroxy-1,4,5-trimethyl-hexyl]-2-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one (2S,3S,5S,8S,9S,10R,13S,14S,17R)-3-bromo-17-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Wiley ID 783962