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Stigmastan-4-one, 3-methoxy-, (3.beta.,24S)-
SpectraBase Compound ID 2nCbPuamW3P
InChI InChI=1S/C30H52O2/c1-8-21(19(2)3)10-9-20(4)23-13-14-24-22-11-12-26-28(31)27(32-7)16-18-30(26,6)25(22)15-17-29(23,24)5/h19-27H,8-18H2,1-7H3/t20-,21+,22+,23-,24+,25+,26?,27+,29-,30-/m1/s1
InChIKey SOLHZZCPAUJOBI-XZAUDBFMSA-N
Mol Weight 444.7 g/mol
Molecular Formula C30H52O2
Exact Mass 444.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0d49n9R6no
Name Stigmastan-4-one, 3-methoxy-, (3.beta.,24S)-
CAS Registry Number 78148-35-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O2
InChI InChI=1S/C30H52O2/c1-8-21(19(2)3)10-9-20(4)23-13-14-24-22-11-12-26-28(31)27(32-7)16-18-30(26,6)25(22)15-17-29(23,24)5/h19-27H,8-18H2,1-7H3/t20-,21+,22+,23-,24+,25+,26?,27+,29-,30-/m1/s1
InChIKey SOLHZZCPAUJOBI-XZAUDBFMSA-N
Molecular Weight 444.744 g/mol
SMILES [C@@]12(C(C(=O)[C@](CC2)(OC)[H])CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)([C@@](CC[C@@](C(C)C)(CC)[H])(C)[H])[H])[H])[H])C
SPLASH splash10-01ox-0001900000-b9251d557028b2c212a4
Source of Spectrum W5-0-0-0
Synonyms (3beta,24S)-3-methoxystigmastan-4-one
Wiley ID 1386238