| SpectraBase Spectrum ID |
6O33hDeJwLI |
| Name |
3.beta.,20.beta.-Diacetoxy-5,7,sec-6-methoxy-19-(formyloxy)pregnane-5-one |
| Alternate Name(s) |
(1S,4R)-4-[(1S,3aS,4R,5S,7aS)-1-[(1S)-1-(acetyloxy)ethyl]-4-(methoxymethyl)-7a-methyloctahydro-1H-inden-5-yl]-4-[(formyloxy)methyl]-3-oxocyclohexyl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H40O8 |
| InChI |
InChI=1S/C26H40O8/c1-16(33-17(2)28)21-6-7-22-20(13-31-5)23(9-10-25(21,22)4)26(14-32-15-27)11-8-19(12-24(26)30)34-18(3)29/h15-16,19-23H,6-14H2,1-5H3/t16-,19-,20+,21+,22-,23-,25+,26-/m0/s1 |
| InChIKey |
DBVHWEMZHOJNKS-XUBZADOHSA-N |
| Molecular Weight |
480.598 g/mol |
| SMILES |
[C@]12([C@]([C@](COC)([H])[C@@]([C@@]3(C(C[C@](CC3)(OC(=O)C)[H])=O)COC=O)(CC1)[H])(CC[C@@]2([C@@](OC(=O)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-000i-0009100000-2e380217fc0304b5abf9 |
| Source of Spectrum |
J-61-6677-5 |
| Wiley ID |
1395200 |
