| SpectraBase Spectrum ID |
9dzZfOqFvbz |
| Name |
(5Z,7E)-(1S,3R,20S)-1-hydroxy-3-acetoxy-9,10-seco-5,7,10(19)-pregnatriene-20-carboxylic acid methyl ester |
| CAS Registry Number |
114694-16-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H36O5 |
| InChI |
InChI=1S/C25H36O5/c1-15-19(13-20(14-23(15)27)30-17(3)26)9-8-18-7-6-12-25(4)21(10-11-22(18)25)16(2)24(28)29-5/h8-9,16,20-23,27H,1,6-7,10-14H2,2-5H3/b18-8+,19-9-/t16-,20+,21+,22-,23-,25+/m0/s1 |
| InChIKey |
BKEAKLWKFXFIOM-XANLJQFNSA-N |
| Molecular Weight |
416.558 g/mol |
| SMILES |
O[C@@]1(C(\C(=C/C=C/2[C@]3([C@@]([C@@]([C@@](C(=O)OC)(C)[H])(CC3)[H])(CCC2)C)[H])C[C@](C1)(OC(=O)C)[H])=C)[H] |
| SPLASH |
splash10-0a59-0709000000-8b11874d8e7d9f23985c |
| Source of Spectrum |
J-53-3454-15 |
| Synonyms |
Methyl (2S)-2-[(1R,3aS,4E,7aR)-4-{2-[(1Z,3S,5R)-5-(acetyloxy)-3-hydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]propanoate |
| Wiley ID |
1376501 |
