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[(8R,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-phenyl-methanone

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

[(8R,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-phenyl-methanone
SpectraBase Compound ID 6dCnOW2SAUZ
InChI InChI=1S/C26H34O/c1-25-16-7-6-10-19(25)11-12-20-21-13-14-23(26(21,2)17-15-22(20)25)24(27)18-8-4-3-5-9-18/h3-5,8-9,14,19-22H,6-7,10-13,15-17H2,1-2H3/t19?,20-,21-,22-,25-,26-/m0/s1
InChIKey UVUZFCYZDZIWSQ-UVEHCDLNSA-N
Mol Weight 362.6 g/mol
Molecular Formula C26H34O
Exact Mass 362.260966 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9CABpXHTHNu
Name [(8R,9S,10S,13S,14S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[A]phenanthren-17-yl]-phenyl-methanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.260965714 u
Formula C26H34O
InChI InChI=1S/C26H34O/c1-25-16-7-6-10-19(25)11-12-20-21-13-14-23(26(21,2)17-15-22(20)25)24(27)18-8-4-3-5-9-18/h3-5,8-9,14,19-22H,6-7,10-13,15-17H2,1-2H3/t19?,20-,21-,22-,25-,26-/m0/s1
InChIKey UVUZFCYZDZIWSQ-UVEHCDLNSA-N
Molecular Weight 362.557 g/mol
SMILES [C@@]12(C(=CC[C@]2([C@@]2(CCC3[C@]([C@]2(CC1)[H])(C)CCCC3)[H])[H])C(=O)C1=CC=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.914905