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(Q82898835)
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English
3,22-Dihydroxyurs-12-en-30-oato
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
taraxastane / ursane triterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
472.35526001599993
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Triptotriterpenic acid C
1 reference
based on heuristic
inferred from InChI
triptocallic acid A
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₀H₄₈O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1C(C(=O)O)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H]1[C@H](C(=O)O)C[C@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)[C@@H]12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C30H48O4/c1-17-18(25(33)34)16-23(32)28(5)14-15-29(6)19(24(17)28)8-9-21-27(4)12-11-22(31)26(2,3)20(27)10-13-30(21,29)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20?,21+,22-,23-,24+,27-,28-,29+,30+/m0/s1
0 references
InChIKey
IWVWTVWLRSUYNC-ULUYBTNLSA-N
0 references
CAS Registry Number
123914-32-9
0 references
DSSTox substance ID
DTXSID00924636
1 reference
matched by identifier from
InChIKey
InChIKey
IWVWTVWLRSUYNC-ULUYBTNLSA-N
DSSTOX compound identifier
DTXCID701353473
0 references
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