| SpectraBase Spectrum ID |
CunlAnAp8en |
| Name |
ESTRA-1,3,5(10)-TRIENE-3,4,17.BETA.-TRIOL(3,4,17.BETA.-TRI-ACETATE) |
| CAS Registry Number |
83187-96-6 |
| Copyright |
Copyright © 2011-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
414.204238680 u |
| Formula |
C24H30O6 |
| InChI |
InChI=1S/C24H30O6/c1-13(25)28-21-9-7-16-17-11-12-24(4)20(8-10-22(24)29-14(2)26)18(17)5-6-19(16)23(21)30-15(3)27/h7,9,17-18,20,22H,5-6,8,10-12H2,1-4H3/t17-,18-,20+,22+,24+/m1/s1 |
| InChIKey |
FGYUONWDBPSWLZ-STDWZSPESA-N |
| Molecular Weight |
414.498 g/mol |
| Nominal Mass |
414 u |
| Number of Peaks |
142 |
| SMILES |
c1(ccc2[C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCc2c1OC(C)=O)[H])[H])(OC(C)=O)[H])C)[H])OC(C)=O |
| SPLASH |
splash10-001i-0119000000-30f798fe2489c5539475 |
| Source File Reference |
LMCM-16097-428L |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
3,17-BIS(ACETYLOXY)ESTRA-1(10),2,4-TRIEN-4-YL ACETATE
(8R,9S,13S,14S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,4,17-triyl triacetate |
| Wiley ID |
4_1942 |
