| SpectraBase Spectrum ID |
H5C8JofComO |
| Name |
3a-Acetoxy-B-homo-6as-methyloxy-pregna-5(10)-en-20-one |
| Alternate Name(s) |
(1S,3aS,3bS,5R,8S,10bS,12aS)-1-acetyl-5-methoxy-12a-methyl-1,2,3,3a,3b,4,5,6,7,8,9,10,10b,11,12,12a-hexadecahydrobenzo[3,4]cyclohepta[1,2-e]inden-8-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H36O4 |
| InChI |
InChI=1S/C24H36O4/c1-14(25)22-7-8-23-21-13-18(27-4)12-16-11-17(28-15(2)26)5-6-19(16)20(21)9-10-24(22,23)3/h17-18,20-23H,5-13H2,1-4H3/t17-,18-,20+,21+,22+,23-,24+/m0/s1 |
| InChIKey |
ZJUVKPRQQVONRV-LCFHYGTHSA-N |
| Literature Reference DOI |
10.1021/ol301532w |
| Molecular Weight |
388.548 g/mol |
| SMILES |
C1CC=2[C@@]3([C@](C[C@](CC2C[C@]1(OC(=O)C)[H])(OC)[H])([H])[C@@]1(CC[C@@]([C@@]1(C)CC3)(C(C)=O)[H])[H])[H] |
| SPLASH |
splash10-0a6u-9721000000-874fff2243dff0c5001b |
| Source of Spectrum |
A1-14-3692/SM3-6a |
| Wiley ID |
1750342 |
