Concept information
Preferred term
3alpha,7alpha,12alpha-trihydroxy-24-methyl-5beta-cholest-23-en-26-oic acid
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C28H46O5
inchi
- InChI=1S/C28H46O5/c1-15(17(3)26(32)33)6-7-16(2)20-8-9-21-25-22(14-24(31)28(20,21)5)27(4)11-10-19(29)12-18(27)13-23(25)30/h6,16-25,29-31H,7-14H2,1-5H3,(H,32,33)/b15-6+/t16-,17?,18+,19-,20-,21+,22+,23-,24+,25+,27+,28-/m1/s1
inchikey
- OHNCMRIDBJLJKB-YWVMPULNSA-N
mass
- 462.671
monoisotopicmass
- 462.33452
smiles
- O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](C/C=C(/C(C)C(O)=O)/C)C)[H])[H])C
subset
- 2_STAR
synonym EXACT
- (E,6R)-2,3-dimethyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-3-enoic acid
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:166746
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