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(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,1R)-1,3,5-trimethylhex-2-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID F1uYCf1CIar
InChI InChI=1S/C28H46O/c1-18(2)15-19(3)16-20(4)24-9-10-25-23-8-7-21-17-22(29)11-13-27(21,5)26(23)12-14-28(24,25)6/h7,16,18,20,22-26,29H,8-15,17H2,1-6H3/b19-16-/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey VWOZANDHAVNMEW-YMEVUWOVSA-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 FHnEXUBs0jC
Name (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(Z,1R)-1,3,5-trimethylhex-2-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Registry Number 82903-20-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O
InChI InChI=1S/C28H46O/c1-18(2)15-19(3)16-20(4)24-9-10-25-23-8-7-21-17-22(29)11-13-27(21,5)26(23)12-14-28(24,25)6/h7,16,18,20,22-26,29H,8-15,17H2,1-6H3/b19-16-/t20-,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey VWOZANDHAVNMEW-YMEVUWOVSA-N
Molecular Weight 398.675 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](\C=C/(CC(C)C)C)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-014i-9036000000-285621467458ac3af6e3
Source of Spectrum J-47-4303-0
Synonyms (3S,8S,9S,10R,13R,14S,17R)-17-[(Z,2R)-4,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 1368751