Concept information
Preferred term
کائوداتین
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C28H42O7
inchi
- InChI=1S/C28H42O7/c1-16(2)17(3)13-23(31)35-22-15-21-24(5)9-8-20(30)14-19(24)7-10-27(21,33)28(34)12-11-26(32,18(4)29)25(22,28)6/h7,13,16,20-22,30,32-34H,8-12,14-15H2,1-6H3/b17-13+/t20-,21+,22+,24-,25+,26-,27-,28+/m0/s1
inchikey
- VWLXIXALPNYWFH-UBHIOMQOSA-N
mass
- 490.637
monoisotopicmass
- 490.29305
smiles
- O[C@]12[C@]([C@H](OC(=O)/C=C(/C(C)C)/C)C[C@]3([C@@]1(O)CC=C4[C@@]3(CC[C@H](O)C4)C)[H])([C@](O)(CC2)C(=O)C)C
subset
- 2_STAR
synonym EXACT
- [(3S,8S,9R,10R,12R,13S,14R,17R)-17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:228856
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