| SpectraBase Spectrum ID |
6kZvul4qLWn |
| Name |
1-[(3S,8S,9S,10R,13S,14S,16R,17S)-10,13,16-trimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone |
| Alternate Name(s) |
1-[(3S,8S,9S,10R,13S,14S,16R,17S)-3-hydroxy-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone |
| CAS Registry Number |
16394-71-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H34O2 |
| InChI |
InChI=1S/C22H34O2/c1-13-11-19-17-6-5-15-12-16(24)7-9-21(15,3)18(17)8-10-22(19,4)20(13)14(2)23/h5,13,16-20,24H,6-12H2,1-4H3/t13-,16+,17-,18+,19+,20-,21+,22+/m1/s1 |
| InChIKey |
XXSFRYVGIQYVIQ-RDTLVLTASA-N |
| Molecular Weight |
330.512 g/mol |
| SMILES |
O[C@]1(CC[C@]2(C(C1)=CC[C@]1([C@@]3(C[C@]([C@](C(C)=O)([C@@]3(C)CC[C@]21[H])[H])(C)[H])[H])[H])C)[H] |
| SPLASH |
splash10-0006-9000000000-977c22dbcb3e1bbcdbe3 |
| Source of Spectrum |
K-2002-230-14 |
| Wiley ID |
1580635 |
