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(Q72499300)
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English
3-Oxotirucalla-7,24-dien-21-oic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6-Methyl-2-(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hept-5-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
454.344695332
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₄₆O₃
0 references
canonical SMILES
O=C(O)C(CCC=C(C)C)C1CCC2(C3=CCC4C(C(=O)CCC4(C)C3CCC12C)(C)C)C
0 references
isomeric SMILES
CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
0 references
found in taxon
Brucea javanica
1 reference
stated in
Separation and Determination of Chemical Constituents in the Roots ofRhus JavanicaL. Var.Roxburghiana
Xanthoceras sorbifolia
1 reference
stated in
Inhibitory effects on HIV-1 protease of constituents from the wood of Xanthoceras sorbifolia.
Xanthoceras sorbifolium
1 reference
stated in
Inhibitory effects on HIV-1 protease of constituents from the wood of Xanthoceras sorbifolia.
Identifiers
InChI
InChI=1S/C30H46O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,11,20-22,24H,8,10,12-18H2,1-7H3,(H,32,33)/t20-,21-,22-,24-,28+,29-,30+/m0/s1
0 references
InChIKey
PYHNHGARAGBCRY-ZYHXIRFQSA-N
0 references
CAS Registry Number
82464-35-5
0 references
PubChem CID
158100
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
619730
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID101002701
0 references
DSSTOX compound identifier
DTXCID301429632
0 references
KNApSAcK ID
C00052693
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PYHNHGARAGBCRY-ZYHXIRFQSA-N
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