| SpectraBase Spectrum ID |
Az9XSYzDemX |
| Name |
3a-Acetoxy-6s-(methansulfonyloxymethyl)-pregna-5(10)-en-20-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H36O6S |
| InChI |
InChI=1S/C24H36O6S/c1-14(25)22-7-8-23-21-11-16(13-29-31(4,27)28)20-12-17(30-15(2)26)5-6-18(20)19(21)9-10-24(22,23)3/h16-17,19,21-23H,5-13H2,1-4H3/t16-,17-,19+,21+,22+,23-,24+/m0/s1 |
| InChIKey |
LIXZWYAQPGVWFE-UQZWZISNSA-N |
| Literature Reference DOI |
10.1021/ol301532w |
| Molecular Weight |
452.606 g/mol |
| SMILES |
C1[C@](OC(=O)C)(CC2=C(C1)[C@@]1([C@](C[C@]2(COS(C)(=O)=O)[H])([H])[C@@]2(CC[C@@]([C@@]2(C)CC1)(C(C)=O)[H])[H])[H])[H] |
| SPLASH |
splash10-052g-4890000000-165a2f3b6556051de800 |
| Source of Spectrum |
A1-14-3692/SM11-7c |
| Synonyms |
(3S,6R,8S,9S,13S,14S,17S)-17-acetyl-13-methyl-6-(((methylsulfonyl)oxy)methyl)-2,3,4,6,7,8,9,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate |
| Wiley ID |
1750353 |
