| SpectraBase Spectrum ID |
CsroknIbfs5 |
| Name |
3a-Acetoxy-B-homo-6as-isobutyloxy-pregna-5(10)-en-20-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H42O4 |
| InChI |
InChI=1S/C27H42O4/c1-16(2)15-30-21-13-19-12-20(31-18(4)29)6-7-22(19)23-10-11-27(5)25(17(3)28)8-9-26(27)24(23)14-21/h16,20-21,23-26H,6-15H2,1-5H3/t20-,21-,23+,24+,25+,26-,27+/m0/s1 |
| InChIKey |
AOIDBUNFVIBQSN-UZRYYBHKSA-N |
| Literature Reference DOI |
10.1021/ol301532w |
| Molecular Weight |
430.629 g/mol |
| SMILES |
C1[C@@](CC2=C(C1)[C@@]1([C@](C[C@](C2)(OCC(C)C)[H])([H])[C@@]2(CC[C@@]([C@@]2(C)CC1)(C(C)=O)[H])[H])[H])(OC(=O)C)[H] |
| SPLASH |
splash10-0a4j-9521000000-eea7ae5d7861c9b7a6f5 |
| Source of Spectrum |
A1-14-3692/SM4-6c |
| Synonyms |
(1S,3aS,3bS,5R,8S,10bS,12aS)-1-acetyl-5-isobutoxy-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 |
| Wiley ID |
1750344 |
