SpectraBase Spectrum ID |
S5u9IsxvVv |
Name |
ANDROST-4-ENE-2.ALPHA.,17.BETA.-DIOL-3-ONE |
CAS Registry Number |
4075-14-3 |
Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
304.203844759 u |
Formula |
C19H28O3 |
InChI |
InChI=1S/C19H28O3/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-15(20)16(21)10-19(11,14)2/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16+,17-,18-,19-/m0/s1 |
InChIKey |
ZOIPFFUVGMVQGE-DTQPDNRZSA-N |
Molecular Weight |
304.430 g/mol |
Nominal Mass |
304 u |
Number of Peaks |
83 |
SMILES |
O[C@]1(CC[C@]2([C@@]3(CCC4=CC([C@@](C[C@@]4([C@]3(CC[C@]12C)[H])C)(O)[H])=O)[H])[H])[H] |
SPLASH |
splash10-03di-5791000000-d0213d6f1d5fc1999bcb |
Source File Reference |
LMCM-52420-127M |
Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
Synonyms |
2,17-DIHYDROXYANDROST-4-EN-3-ONE
(2R,8R,9S,10R,13S,14S,17S)-2,17-dihydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one |
Wiley ID |
4_2515 |