Concept information
...
carbonyl compound
carboxylic acid
monocarboxylic acid
alpha,beta-unsaturated monocarboxylic acid
...
carbonyl compound
carboxylic acid
monocarboxylic acid
alpha,beta-unsaturated monocarboxylic acid
...
carbonyl compound
carboxylic acid
monocarboxylic acid
alpha,beta-unsaturated monocarboxylic acid
...
organic cyclic compound
organic polycyclic compound
organic tetracyclic compound
tetracyclic triterpenoid
...
organic cyclic compound
organic polycyclic compound
organic tetracyclic compound
tetracyclic triterpenoid
...
organic cyclic compound
organic polycyclic compound
organic tetracyclic compound
tetracyclic triterpenoid
Preferred term
6beta,16beta-diacetoxy-25-hydroxy-3,7-dioxy-29-nordammara-1,17(20)-dien-21-oic acid
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C33H46O9
inchi
- InChI=1S/C33H46O9/c1-17-22(36)13-15-31(6)24-12-11-21-25(20(29(38)39)10-9-14-30(4,5)40)23(41-18(2)34)16-32(21,7)33(24,8)28(37)27(26(17)31)42-19(3)35/h13,15,17,21,23-24,26-27,40H,9-12,14,16H2,1-8H3,(H,38,39)/b25-20-/t17-,21+,23+,24+,26-,27+,31-,32+,33-/m1/s1
inchikey
- WLRJWQXWJBEULT-GAZAAFLYSA-N
mass
- 586.71290
monoisotopicmass
- 586.31418
smiles
- [H][C@@]12CC[C@@]3([H])[C@@]4(C)C=CC(=O)[C@@H](C)[C@]4([H])[C@H](OC(C)=O)C(=O)[C@]3(C)[C@@]1(C)C[C@H](OC(C)=O)/C2=C(/CCCC(C)(C)O)C(O)=O
subset
- 3_STAR
synonym EXACT
- (2Z)-2-[(4alpha,5alpha,6beta,8alpha,9beta,13alpha,14beta,16beta,17Z)-6,16-bis(acetyloxy)-4,8,10,14-tetramethyl-3,7-dioxogon-1-en-17-ylidene]-6-hydroxy-6-methylheptanoic acid
synonym RELATED
- (4S,5S,6S,8S,9S,10R,13R,14S,16S,17Z)-6,16-diacetoxy-25-hydroxy-3,7-dioxy-29-nordammara-1,17(20)-dien-21-oic acid
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:65752
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