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3-(Acetic acid)-5.alpha.-stigmastane,methyl ester
SpectraBase Compound ID kXmvFdiOzs
InChI InChI=1S/C32H56O2/c1-8-24(21(2)3)10-9-22(4)27-13-14-28-26-12-11-25-19-23(20-30(33)34-7)15-17-31(25,5)29(26)16-18-32(27,28)6/h21-29H,8-20H2,1-7H3/t22-,23?,24-,25+,26?,27-,28?,29+,31+,32-/m1/s1
InChIKey HHDWBISXIRYHOD-XNQJPRCRSA-N
Mol Weight 472.8 g/mol
Molecular Formula C32H56O2
Exact Mass 472.428031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EICuPZDOsCD
Name 3-(Acetic acid)-5.alpha.-stigmastane,methyl ester
Alternate Name(s) Methyl (5alpha)-stigmastan-3-ylacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H56O2
InChI InChI=1S/C32H56O2/c1-8-24(21(2)3)10-9-22(4)27-13-14-28-26-12-11-25-19-23(20-30(33)34-7)15-17-31(25,5)29(26)16-18-32(27,28)6/h21-29H,8-20H2,1-7H3/t22-,23?,24-,25+,26?,27-,28?,29+,31+,32-/m1/s1
InChIKey HHDWBISXIRYHOD-XNQJPRCRSA-N
Molecular Weight 472.798 g/mol
SMILES [C@@]12(C(C3CC[C@@]4([C@@]([C@]3(CC2)[H])(CCC(CC(=O)OC)C4)C)[H])CC[C@@]1([C@@](CC[C@](C(C)C)(CC)[H])(C)[H])[H])C
SPLASH splash10-05gv-4490100000-f0b58879d9c18b04956a
Source of Spectrum F-50-11640-14
Wiley ID 789985