| SpectraBase Spectrum ID |
FaJ6kbsvWQD |
| Name |
PREGN-16-EN-20-ONE, 11,18-BIS(ACETYLOXY)-3,9-EPOXY-3-METHOXY-, (3.ALPHA.,5.BETA.,11.ALPHA.)- |
| CAS Registry Number |
30384-39-5 |
| Copyright |
Copyright © 2011-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
460.246103492 u |
| Formula |
C26H36O7 |
| InChI |
InChI=1S/C26H36O7/c1-15(27)19-8-9-20-21-7-6-18-12-25(30-5)11-10-23(18,4)26(21,33-25)22(32-17(3)29)13-24(19,20)14-31-16(2)28/h8,18,20-22H,6-7,9-14H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26-/m1/s1 |
| InChIKey |
CUJSJTVPMKQQMG-XSLNCIIRSA-N |
| Molecular Weight |
460.567 g/mol |
| Nominal Mass |
460 u |
| Number of Peaks |
378 |
| SMILES |
[C@]12(CC[C@@]3([C@@]4([C@@](C[C@@]5(C(=CC[C@]5([C@@]4(CC[C@@]3(C2)[H])[H])[H])C(C)=O)COC(=O)C)(OC(=O)C)[H])O1)C)OC |
| SPLASH |
splash10-0006-6932000000-edd66ccf1da3eda3d40b |
| Source File Reference |
LMCM-76377-668M |
| Source of Spectrum |
Prof. J. Seibl; ETH Zurich, Switzerland |
| Synonyms |
PREGN-16-EN-20-ONE, 11,18-BIS(ACETYLOXY)-3,9-EPOXY-3-METHOXY-, (3ALPHA,5BETA,11ALPHA)-
[(2R,4R,8S,9S,12R,14R,17S)-5-acetyl-2-(acetyloxy)-14-methoxy-17-methyl-18-oxapentacyclo[12.3.1.0(1,9).0(4,8).0(12,17)]octadec-5-en-4-yl]methyl acetate |
| Wiley ID |
8_19100 |
