| SpectraBase Spectrum ID |
Bi1WmNcb4Nu |
| Name |
3a-Acetoxy-B-homo-6as-(4-methoxyphenyl)-pregna-5(10)-en-20-one |
| Alternate Name(s) |
(1S,3aS,3bS,5R,8S,10bS,12aS)-1-acetyl-5-(4-methoxyphenyl)-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 |
C30H40O4 |
| InChI |
InChI=1S/C30H40O4/c1-18(31)28-11-12-29-27-17-21(20-5-7-23(33-4)8-6-20)15-22-16-24(34-19(2)32)9-10-25(22)26(27)13-14-30(28,29)3/h5-8,21,24,26-29H,9-17H2,1-4H3/t21-,24-,26+,27+,28+,29-,30+/m0/s1 |
| InChIKey |
JOBNWQRGUUERRW-YPIRXXHISA-N |
| Literature Reference DOI |
10.1021/ol301532w |
| Molecular Weight |
464.646 g/mol |
| SMILES |
C1[C@](OC(=O)C)(CC2=C(C1)[C@@]1([C@](C[C@@](c3ccc(cc3)OC)(C2)[H])([H])[C@@]2([H])[C@]([C@](CC2)(C(C)=O)[H])(C)CC1)[H])[H] |
| SPLASH |
splash10-00di-2920100000-511652b0b03fd6d1c5a2 |
| Source of Spectrum |
A1-14-3692/SM6-6i |
| Wiley ID |
1750350 |
