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

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(10R,13S)-3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
SpectraBase Compound ID EgTNeRCRAnp
InChI InChI=1S/C22H32O4/c1-13(23)26-15-8-10-21(2)14(12-15)4-5-16-17-6-7-19(20(24)25)22(17,3)11-9-18(16)21/h4,15-19H,5-12H2,1-3H3,(H,24,25)/t15?,16?,17?,18?,19?,21-,22-/m0/s1
InChIKey WVHKCBDRQIXZLC-XEYOUOGVSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jBuyOyIaVm
Name (10R,13S)-3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
CAS Registry Number 51424-66-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-13(23)26-15-8-10-21(2)14(12-15)4-5-16-17-6-7-19(20(24)25)22(17,3)11-9-18(16)21/h4,15-19H,5-12H2,1-3H3,(H,24,25)/t15?,16?,17?,18?,19?,21-,22-/m0/s1
InChIKey WVHKCBDRQIXZLC-XEYOUOGVSA-N
Molecular Weight 360.494 g/mol
SMILES OC(C1[C@@]2(C(C3CC=C4[C@@](C3CC2)(CCC(OC(=O)C)C4)C)CC1)C)=O
SPLASH splash10-0006-9100000000-485159a04e84b4ec4050
Synonyms (10R,13S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
Wiley ID 1439957