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(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-4-propan-2-ylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

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

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-4-propan-2-ylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID Iw432diVriQ
InChI InChI=1S/C29H48O/c1-7-8-21(19(2)3)17-20(4)25-11-12-26-24-10-9-22-18-23(30)13-15-28(22,5)27(24)14-16-29(25,26)6/h9,20,23-27,30H,7-8,10-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey QIZZPXJUFDHERZ-VEVYEIKRSA-N
Mol Weight 412.7 g/mol
Molecular Formula C29H48O
Exact Mass 412.370516 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2yY2qHSMVUE
Name (3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-4-propan-2-ylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[A]phenanthren-3-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.370516165 u
Formula C29H48O
InChI InChI=1S/C29H48O/c1-7-8-21(19(2)3)17-20(4)25-11-12-26-24-10-9-22-18-23(30)13-15-28(22,5)27(24)14-16-29(25,26)6/h9,20,23-27,30H,7-8,10-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey QIZZPXJUFDHERZ-VEVYEIKRSA-N
Molecular Weight 412.702 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)[H])(CC[C@@]1([C@@](CC(=C(C)C)CCC)(C)[H])[H])[H])C