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(3S,5S,6S,10R,13R,17R)-10,13-dimethyl-17-((R)-6-methylhept-5-en-2-yl)-2,3,4,5,6,7,9,10,11,12,13,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(3S,5S,6S,10R,13R,17R)-10,13-dimethyl-17-((R)-6-methylhept-5-en-2-yl)-2,3,4,5,6,7,9,10,11,12,13,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
SpectraBase Compound ID DiiSE6Kp3Li
InChI InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h7,18-19,21,23-25,28-29H,6,8-16H2,1-5H3/t18-,19+,21-,23?,24-,25+,26-,27-/m1/s1
InChIKey QGPKBOWNYROFNQ-HICNHADZSA-N
Mol Weight 400.6 g/mol
Molecular Formula C27H44O2
Exact Mass 400.334131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GGuyzSjsTu5
Name (3S,5S,6S,10R,13R,17R)-10,13-Dimethyl-17-((R)-6-methylhept-5-en-2-yl)-2,3,4,5,6,7,9,10,11,12,13,15,16,17-tetradecahydro-1H-cyclopenta[A]phenanthrene-3,6-diol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.334130655 u
Formula C27H44O2
InChI InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h7,18-19,21,23-25,28-29H,6,8-16H2,1-5H3/t18-,19+,21-,23?,24-,25+,26-,27-/m1/s1
InChIKey QGPKBOWNYROFNQ-HICNHADZSA-N
Molecular Weight 400.647 g/mol
SMILES C1C[C@]2([C@](C[C@]1(O)[H])([C@](CC=1C2CC[C@]2(C1CC[C@@]2([C@](C)(CCC=C(C)C)[H])[H])C)(O)[H])[H])C