Concept information
...
organic cyclic compound
organic polycyclic compound
organic tetracyclic compound
tetracyclic triterpenoid
...
organic cyclic compound
organic polycyclic compound
organic tetracyclic compound
tetracyclic triterpenoid
Preferred term
rel-2alpha,3alpha,23-trihydroxy-19-oxo-18,19-seco-urs-11,13(18)-dien-28-oic acid
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C30H46O6
has_role
inchi
- InChI=1S/C30H46O6/c1-18(19(2)32)9-12-30(25(35)36)14-13-28(5)20(15-30)7-8-23-26(3)16-21(33)24(34)27(4,17-31)22(26)10-11-29(23,28)6/h7-8,15,18,21-24,31,33-34H,9-14,16-17H2,1-6H3,(H,35,36)/t18-,21-,22-,23-,24-,26+,27+,28-,29-,30+/m1/s1
inchikey
- GASVCOQAHAIPDZ-GUFPWPFYSA-N
mass
- 502.68260
monoisotopicmass
- 502.32944
smiles
- C[C@H](CC[C@@]1(CC[C@]2(C)C(C=C[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]23C)=C1)C(O)=O)C(C)=O
subset
- 3_STAR
synonym EXACT
- rel-(2S,4aS,4bR,6aR,7R,8S,9R,10aS,10bR)-8,9-dihydroxy-7-(hydroxymethyl)-4a,4b,7,10a-tetramethyl-2-[(3R)-3-methyl-4-oxopentyl]-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b-tetradecahydrochrysene-2-carboxylic acid
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:67909
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