Concept information
Preferred term
21 هیدروکسی پرگننولون مونو سولفات
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C21H32O6S
inchi
- InChI=1S/C21H32O6S/c1-20-9-7-14(22)11-13(20)3-4-15-16-5-6-18(19(23)12-27-28(24,25)26)21(16,2)10-8-17(15)20/h3,14-18,22H,4-12H2,1-2H3,(H,24,25,26)/t14-,15-,16-,17-,18+,20-,21-/m0/s1
inchikey
- YNTXPDSHGMGJJG-WPWXJNKXSA-N
mass
- 412.540
monoisotopicmass
- 412.19196
smiles
- S(OCC(=O)[C@@H]1[C@@]2([C@]([C@]3([C@@]([C@@]4(C(=CC3)C[C@@H](O)CC4)C)(CC2)[H])[H])(CC1)[H])C)(O)(=O)=O
subset
- 2_STAR
synonym EXACT
- [2-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hydrogen sulate
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:178079
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