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DIOSGENONE;(25R)-4-SPIROSTEN-3-ONE
SpectraBase Compound ID J7EeTUmHsSm
InChI InChI=1S/C27H40O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24H,5-12,14-15H2,1-4H3/t16-,17+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
InChIKey AZXZUBZBLNFUPF-CLGLNXEMSA-N
Mol Weight 412.6 g/mol
Molecular Formula C27H40O3
Exact Mass 412.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID miycm5oVPK
Name Spirost-4-en-3-one, (25R)-
CAS Registry Number 6870-79-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40O3
InChI InChI=1S/C27H40O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24H,5-12,14-15H2,1-4H3/t16-,17+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
InChIKey AZXZUBZBLNFUPF-CLGLNXEMSA-N
Molecular Weight 412.614 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])(C[C@@]2(O[C@]3([C@]([C@]12[H])(C)[H])OC[C@@](CC3)(C)[H])[H])[H])C
SPLASH splash10-000i-0910000000-b2866e89653d7a2da80e
Source of Spectrum KO-3-82-1
Synonyms (25R)-spirost-4-en-3-one .delta.(5)-3-keto-diosgenin .delta.4-diosgenone Delta(5)-3-keto-diosgenin Diosgenone Isospirost-4-en-3-one Spiro[8H-naphth[2',1':4,5]indeno[2,1-b]furan-8,2'-[2H]pyran], spirost-4-en-3-one deriv.
Wiley ID 1374644