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(3S,8R,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2'-spiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]one

View entire compound with spectra: 1 MS (GC)

(3S,8R,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2'-spiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]one
SpectraBase Compound ID EP0jAFMA9nB
InChI InChI=1S/C22H32O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3,15-18,23H,4-13H2,1-2H3/t15-,16+,17-,18-,20-,21-,22+/m0/s1
InChIKey XBSQQVJXPODPRW-ANWZHMNCSA-N
Mol Weight 344.5 g/mol
Molecular Formula C22H32O3
Exact Mass 344.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0xwNuUdJmo
Name (3S,8R,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2'-spiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]one
CAS Registry Number 13934-61-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O3
InChI InChI=1S/C22H32O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3,15-18,23H,4-13H2,1-2H3/t15-,16+,17-,18-,20-,21-,22+/m0/s1
InChIKey XBSQQVJXPODPRW-ANWZHMNCSA-N
Molecular Weight 344.495 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@@]5(OC(=O)CC5)CC[C@]4([C@@]3(CC=C2C1)[H])[H])C)[H])C)[H]
SPLASH splash10-024i-0379000000-5f4812b721597fe91300
Source of Spectrum KO-5-527-1
Synonyms (3S,8R,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-one (3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxidanyl-spiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-one EINECS 237-709-1
Wiley ID 1338243