| SpectraBase Spectrum ID |
FEaMeETqLNr |
| Name |
3a-Acetoxy-B-homo-6as-isopropyloxy-pregna-5(10)-en-20-one |
| Alternate Name(s) |
(1S,3aS,3bS,5R,8S,10bS,12aS)-1-acetyl-5-isopropoxy-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 |
C26H40O4 |
| InChI |
InChI=1S/C26H40O4/c1-15(2)29-20-13-18-12-19(30-17(4)28)6-7-21(18)22-10-11-26(5)24(16(3)27)8-9-25(26)23(22)14-20/h15,19-20,22-25H,6-14H2,1-5H3/t19-,20-,22+,23+,24+,25-,26+/m0/s1 |
| InChIKey |
HFMXQDYRLXMCTH-SBCXBQJGSA-N |
| Literature Reference DOI |
10.1021/ol301532w |
| Molecular Weight |
416.602 g/mol |
| SMILES |
C1[C@@](CC=2C[C@@](C[C@@]3([C@]([H])(CC[C@@]4([C@](CC[C@@]34[H])(C(C)=O)[H])C)C2C1)[H])(OC(C)C)[H])(OC(=O)C)[H] |
| SPLASH |
splash10-052b-1692000000-369f59b71f5e3c44e0e1 |
| Source of Spectrum |
A1-14-3692/SM4-6b |
| Wiley ID |
1750343 |
