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24s-3.beta.-acetoxy-5a-stigmast-7-en-29-oic acid ethyl eater
SpectraBase Compound ID KvAyYoiD7z7
InChI InChI=1S/C33H54O4/c1-8-36-31(35)19-24(21(2)3)10-9-22(4)28-13-14-29-27-12-11-25-20-26(37-23(5)34)15-17-32(25,6)30(27)16-18-33(28,29)7/h12,21-22,24-26,28-30H,8-11,13-20H2,1-7H3/t22-,24+,25+,26+,28-,29+,30+,32+,33-/m1/s1
InChIKey RJJQHRZOIGYGCL-KRZFPLFMSA-N
Mol Weight 514.8 g/mol
Molecular Formula C33H54O4
Exact Mass 514.40221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30KwaiECIZ5
Name 24s-3.beta.-acetoxy-5a-stigmast-7-en-29-oic acid ethyl eater
Alternate Name(s) (3beta,5alpha)-29-ethoxy-29-oxostigmast-7-en-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H54O4
InChI InChI=1S/C33H54O4/c1-8-36-31(35)19-24(21(2)3)10-9-22(4)28-13-14-29-27-12-11-25-20-26(37-23(5)34)15-17-32(25,6)30(27)16-18-33(28,29)7/h12,21-22,24-26,28-30H,8-11,13-20H2,1-7H3/t22-,24+,25+,26+,28-,29+,30+,32+,33-/m1/s1
InChIKey RJJQHRZOIGYGCL-KRZFPLFMSA-N
Molecular Weight 514.791 g/mol
SMILES C=12[C@]3([C@]([C@@]([C@@](CC[C@@](CC(=O)OCC)(C(C)C)[H])(C)[H])(CC3)[H])(C)CC[C@@]2([C@]2(CC[C@](OC(=O)C)(C[C@@]2(CC1)[H])[H])C)[H])[H]
SPLASH splash10-0nmi-0091620000-e66ea692eae1c6edc26d
Source of Spectrum F-42-4846-5
Wiley ID 1401228