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(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-phenylmethoxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

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

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-phenylmethoxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
SpectraBase Compound ID Dixkb1m6nz1
InChI InChI=1S/C34H52O/c1-24(2)10-9-11-25(3)30-16-17-31-29-15-14-27-22-28(35-23-26-12-7-6-8-13-26)18-20-33(27,4)32(29)19-21-34(30,31)5/h6-8,12-14,24-25,28-32H,9-11,15-23H2,1-5H3/t25-,28+,29+,30-,31+,32+,33+,34-/m1/s1
InChIKey WOOIMKQUXAEKBL-HTPUTFLASA-N
Mol Weight 476.8 g/mol
Molecular Formula C34H52O
Exact Mass 476.401816 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4ukIzDxYWqf
Name (3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-phenylmethoxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[A]phenanthrene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.401816293 u
Formula C34H52O
InChI InChI=1S/C34H52O/c1-24(2)10-9-11-25(3)30-16-17-31-29-15-14-27-22-28(35-23-26-12-7-6-8-13-26)18-20-33(27,4)32(29)19-21-34(30,31)5/h6-8,12-14,24-25,28-32H,9-11,15-23H2,1-5H3/t25-,28+,29+,30-,31+,32+,33+,34-/m1/s1
InChIKey WOOIMKQUXAEKBL-HTPUTFLASA-N
Molecular Weight 476.789 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OCC=2C=CC=CC2)(C4)[H])C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.896866