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(Q82947382)
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English
Oleana-11,13(18)-diene-3,16,23,28-tetrol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(3S,4R,6aR,6bS,8R,14bS)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicene-3,8-diol
1 reference
based on heuristic
inferred from SMILES
mass
472.355260016
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₄₈O₄
0 references
canonical SMILES
OCC12C(=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC1O)CC(C)(C)CC2
0 references
found in taxon
Bupleurum falcatum
1 reference
stated in
The Chemical Studies on Oriental Plant Drugs. XV. On the Constituents of Bupleurum Spp. (2). The Structure of Saikogenin A, a Sapogenin of Bupleurum falcatum L
Identifiers
InChI
InChI=1S/C30H48O4/c1-25(2)13-14-30(18-32)20(15-25)19-7-8-22-26(3)11-10-23(33)27(4,17-31)21(26)9-12-28(22,5)29(19,6)16-24(30)34/h7-8,21-24,31-34H,9-18H2,1-6H3
0 references
InChIKey
QGNVMEXLLPGQEV-UHFFFAOYSA-N
0 references
CAS Registry Number
5092-09-1
0 references
PubChem CID
318774
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QGNVMEXLLPGQEV-UHFFFAOYSA-N
UniChem compound ID
53917045
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20965203
1 reference
matched by identifier from
InChIKey
InChIKey
QGNVMEXLLPGQEV-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID301392877
0 references
NSC number
258312
0 references
Human Metabolome Database ID
HMDB0257446
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QGNVMEXLLPGQEV-UHFFFAOYSA-N
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