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(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-6-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID 9WK5ZUiLLdj
InChI InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,19,21,23-25,28H,1,6-8,11-17H2,2-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1
InChIKey FMSXBNZXNNDCLE-DDPQNLDTSA-N
Mol Weight 382.6 g/mol
Molecular Formula C27H42O
Exact Mass 382.323566 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1OqdFUtyiey
Name (3S,9S,10R,13R,14R,17R)-10,13-Dimethyl-17-[(2R)-6-methylhept-6-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[A]phenanthren-3-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.323565971 u
Formula C27H42O
InChI InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,19,21,23-25,28H,1,6-8,11-17H2,2-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1
InChIKey FMSXBNZXNNDCLE-DDPQNLDTSA-N
Molecular Weight 382.632 g/mol
SMILES C=12[C@]3([C@]([C@@]([C@@](CCCC(=C)C)(C)[H])(CC3)[H])(C)CC[C@@]2([C@]2(CC[C@@](CC2=CC1)(O)[H])C)[H])[H]