Concept information
Preferred term
3 بتا O (E) کومارول D:C friedooleana 7,9(11) dien 29 oic acid
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C39H52O5
has_functional_parent
has_role
inchi
- InChI=1S/C39H52O5/c1-34(2)29-14-13-28-27(37(29,5)18-17-31(34)44-32(41)15-10-25-8-11-26(40)12-9-25)16-19-39(7)30-24-36(4,33(42)43)21-20-35(30,3)22-23-38(28,39)6/h8-13,15-16,29-31,40H,14,17-24H2,1-7H3,(H,42,43)/b15-10+/t29-,30+,31-,35+,36+,37+,38+,39-/m0/s1
inchikey
- NOTQCQMXZCILJE-WYGBHMDXSA-N
mass
- 600.82720
monoisotopicmass
- 600.38147
smiles
- [H][C@@]12CC=C3C(=CC[C@@]4(C)[C@]5([H])C[C@@](C)(CC[C@]5(C)CC[C@]34C)C(O)=O)[C@@]1(C)CC[C@H](OC(=O)/C=C/c1ccc(O)cc1)C2(C)C
subset
- 3_STAR
synonym EXACT
- (2R,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,14,14a,14b-octadecahydropicene-2-carboxylic acid
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:65663
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