| SpectraBase Spectrum ID |
2pQTt05oSBk |
| Name |
PREGN-4-EN-18-OIC ACID, 11-(ACETYLOXY)-6,7-EPOXY-9,20-DIHYDROXY-, .GAMMA.-LACTONE, (6.ALPHA.,7.ALPHA.,11.ALPHA.,20R)- |
| CAS Registry Number |
35602-82-5 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
416.183503235 u |
| Formula |
C23H28O7 |
| InChI |
InChI=1S/C23H28O7/c1-10-13-4-5-14-17-19-18(30-19)15-8-12(25)6-7-21(15,3)23(17,27)16(29-11(2)24)9-22(13,14)20(26)28-10/h8,10,13-14,16-19,27H,4-7,9H2,1-3H3/t10-,13-,14?,16-,17-,18+,19-,21+,22-,23?/m1/s1 |
| InChIKey |
PKCMWCHLVMOSRP-ARMWJYCJSA-N |
| Molecular Weight |
416.470 g/mol |
| Nominal Mass |
416 u |
| Number of Peaks |
246 |
| SMILES |
OC12[C@@](C[C@@]34[C@](CCC3[C@@]1([C@@]1([C@](C3=CC(CC[C@]23C)=O)(O1)[H])[H])[H])([C@@](C)(OC4=O)[H])[H])(OC(=O)C)[H] |
| SPLASH |
splash10-0udi-2953000000-f6d729cdc75b83f35bf3 |
| Source File Reference |
LMCM-55634-503Z |
| Source of Spectrum |
Prof. J. Seibl; ETH Zurich, Switzerland |
| Synonyms |
12A-HYDROXY-8,12B-DIMETHYL-3,10-DIOXO-2,3,4B,5A,5B,5C,6,7,7A,8,11,12,12A,12B-TETRADECAHYDRO-1H-OXIRENO[2'',3'':3',4']NAPHTHO[2',1':4,5]INDENO[1,7A-C]FURAN-12-YL ACETATE
(1R,5S,6R,9S,11R,13S,19S,21R)-12-hydroxy-6,13-dimethyl-8,16-dioxo-7,20-dioxahexacyclo[10.9.0.0(2,9).0(5,9).0(13,18).0(19,21)]henicos-17-en-11-yl acetate |
| Wiley ID |
8_18987 |
