| SpectraBase Spectrum ID |
Lk7oRmePkFy |
| Name |
3a-Acetoxy-B-homo-6as-((S)-1-butyn-3-yl-oxy)-pregna-5(10)-en-20-one |
| Alternate Name(s) |
(1S,3aS,3bS,5R,8S,10bS,12aS)-1-acetyl-5-((S)-but-3-yn-2-yloxy)-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 |
C27H38O4 |
| InChI |
InChI=1S/C27H38O4/c1-6-16(2)30-21-14-19-13-20(31-18(4)29)7-8-22(19)23-11-12-27(5)25(17(3)28)9-10-26(27)24(23)15-21/h1,16,20-21,23-26H,7-15H2,2-5H3/t16-,20-,21-,23+,24+,25+,26-,27+/m0/s1 |
| InChIKey |
BLDARMAEZACINV-ZUVHLCSHSA-N |
| Literature Reference DOI |
10.1021/ol301532w |
| Molecular Weight |
426.597 g/mol |
| SMILES |
C1[C@@](CC2=C(C1)[C@@]1([C@](C[C@](C2)(O[C@@](C)(C#C)[H])[H])([H])[C@@]2(CC[C@@]([C@@]2(C)CC1)(C(C)=O)[H])[H])[H])(OC(=O)C)[H] |
| SPLASH |
splash10-0aou-9830000000-77593ea30e29fb69be66 |
| Source of Spectrum |
A1-14-3692/SM7-6f |
| Wiley ID |
1750347 |
