| SpectraBase Spectrum ID |
BpuUMxgopf3 |
| Name |
Ergosta-4,24-dien-26-oic acid, 22-hydroxy-3-oxo-, .delta.-lactone, (22R)- |
| Alternate Name(s) |
(6S)-3,4-dimethyl-6-[(20S)-3-oxopregn-4-en-20-yl]-5,6-dihydro-2H-pyran-2-one
Minabeolide 3 |
| 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 |
| Wiley ID |
1379462 |
