| SpectraBase Spectrum ID |
SDrbGHkkd6 |
| Name |
3a-Acetoxy-6s-(hydroxymethyl)-pregna-5(10)-en-20-one |
| Alternate Name(s) |
(3S,6R,8S,9S,13S,14S,17S)-17-acetyl-6-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H34O4 |
| InChI |
InChI=1S/C23H34O4/c1-13(25)21-6-7-22-20-10-15(12-24)19-11-16(27-14(2)26)4-5-17(19)18(20)8-9-23(21,22)3/h15-16,18,20-22,24H,4-12H2,1-3H3/t15-,16-,18+,20+,21+,22-,23+/m0/s1 |
| InChIKey |
FWQRJAPFIJADRF-LTQPOFTFSA-N |
| Literature Reference DOI |
10.1021/ol301532w |
| Molecular Weight |
374.521 g/mol |
| SMILES |
OC[C@]1(C=2C[C@@](OC(=O)C)(CCC2[C@@]2([C@](C1)([H])[C@@]1(CC[C@@]([C@@]1(C)CC2)(C(C)=O)[H])[H])[H])[H])[H] |
| SPLASH |
splash10-01ow-5953000000-512be77922fc22ac87c2 |
| Source of Spectrum |
A1-14-3692/SM11-7e |
| Wiley ID |
1750355 |
