| SpectraBase Spectrum ID |
20VBZHsiYGZ |
| Name |
3.BETA.,18-BIS(ACETYLOXY)-14.BETA.,15.BETA.-EPOXY-5.ALPHA.PREGN-16-EN-20-ONE |
| CAS Registry Number |
30344-58-2 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
430.235538809 u |
| Formula |
C25H34O6 |
| InChI |
InChI=1S/C25H34O6/c1-14(26)21-12-22-25(31-22)20-6-5-17-11-18(30-16(3)28)7-9-23(17,4)19(20)8-10-24(21,25)13-29-15(2)27/h12,17-20,22H,5-11,13H2,1-4H3/t17-,18-,19-,20+,22+,23-,24-,25+/m0/s1 |
| InChIKey |
DMRYWIIRQKQZBF-KPYWCFQOSA-N |
| Molecular Weight |
430.541 g/mol |
| Nominal Mass |
430 u |
| Number of Peaks |
177 |
| SMILES |
[C@]1(CC[C@@]2([C@]3(CC[C@@]4(C(=C[C@@]5([C@@]4([C@@]3(CC[C@]2(C1)[H])[H])O5)[H])C(C)=O)COC(=O)C)[H])C)(OC(=O)C)[H] |
| SPLASH |
splash10-0a4i-0109000000-d405da87da8d1c3eff40 |
| Source File Reference |
LMCM-11896-515T |
| Source of Spectrum |
Prof. J. Seibl; ETH Zurich, Switzerland |
| Synonyms |
1-ACETYL-11A-[(ACETYLOXY)METHYL]-9A-METHYL-2A,3B,4,5,5A,6,7,8,9,9A,9B,10,11,11A-TETRADECAHYDRONAPHTHO[1',2':6,7]INDENO[1,7A-B]OXIREN-7-YL ACETATE
[(1R,2S,4R,7R,10S,11S,14S,16S)-6-acetyl-14-(acetyloxy)-11-methyl-3-oxapentacyclo[8.8.0.0(2,4).0(2,7).0(11,16)]octadec-5-en-7-yl]methyl acetate |
| Wiley ID |
8_20174 |
