| SpectraBase Spectrum ID |
4BeG5m2uHm4 |
| Name |
ANDROST-5-ENE-3.BETA.,17.BETA.,18-TRIOL-16-ONE-TRI-ACETATE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
446.230453428 u |
| Formula |
C25H34O7 |
| InChI |
InChI=1S/C25H34O7/c1-14(26)30-13-25-10-8-20-19(21(25)12-22(29)23(25)32-16(3)28)6-5-17-11-18(31-15(2)27)7-9-24(17,20)4/h5,18-21,23H,6-13H2,1-4H3/t18-,19+,20-,21-,23-,24-,25+/m0/s1 |
| InChIKey |
FVHJMNAMYYBUPN-LDQMMROCSA-N |
| Molecular Weight |
446.540 g/mol |
| Nominal Mass |
446 u |
| Number of Peaks |
131 |
| SMILES |
[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@](C(C[C@]4([C@@]3(CC=C2C1)[H])[H])=O)(OC(C)=O)[H])COC(C)=O)[H])C)(OC(C)=O)[H] |
| SPLASH |
splash10-0f79-3479000000-12815a07b1123f3ed0bc |
| Source File Reference |
LMCM-24070-770Z |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
17,18-BIS(ACETYLOXY)-16-OXOANDROST-5-EN-3-YL ACETATE
(3S,8R,9S,10R,13S,14S,17R)-13-(acetoxymethyl)-10-methyl-16-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diyl diacetate |
| Wiley ID |
4_1668 |
