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Ergosta-4,24-dien-26-oic acid, 22-hydroxy-3-oxo-, .delta.-lactone, (22R)-
SpectraBase Compound ID FUdKxmZAETB
InChI InChI=1S/C28H40O3/c1-16-14-25(31-26(30)17(16)2)18(3)22-8-9-23-21-7-6-19-15-20(29)10-12-27(19,4)24(21)11-13-28(22,23)5/h15,18,21-25H,6-14H2,1-5H3/t18-,21-,22+,23-,24-,25-,27-,28+/m0/s1
InChIKey NGVZICUXTBJFIV-VAKBHZBHSA-N
Mol Weight 424.6 g/mol
Molecular Formula C28H40O3
Exact Mass 424.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BpuUMxgopf3
Name Ergosta-4,24-dien-26-oic acid, 22-hydroxy-3-oxo-, .delta.-lactone, (22R)-
CAS Registry Number 114820-25-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H40O3
InChI InChI=1S/C28H40O3/c1-16-14-25(31-26(30)17(16)2)18(3)22-8-9-23-21-7-6-19-15-20(29)10-12-27(19,4)24(21)11-13-28(22,23)5/h15,18,21-25H,6-14H2,1-5H3/t18-,21-,22+,23-,24-,25-,27-,28+/m0/s1
InChIKey NGVZICUXTBJFIV-VAKBHZBHSA-N
Molecular Weight 424.625 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])(CC[C@@]1([C@@]([C@]1(OC(=O)C(=C(C1)C)C)[H])(C)[H])[H])[H])C
SPLASH splash10-004i-0920000000-ebfa30eed6f308848e9e
Source of Spectrum J-53-3929-3
Synonyms (6S)-3,4-dimethyl-6-[(20S)-3-oxopregn-4-en-20-yl]-5,6-dihydro-2H-pyran-2-one Minabeolide 3
Wiley ID 1379462