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(Q82895387)
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English
3,7-Dihydroxy-1-oxo-7,20-epoxykaur-16-ene-6,15-diyl diacetate
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
448.2097179839999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₃₂O₈
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C=C1C2CCC3C45COC(O)(C(OC(C)=O)C4C(C)(C)C(O)CC5=O)C3(C2)C1OC(C)=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C=C1[C@H]2CC[C@H]3C45CO[C@@](O)([C@@H](OC(C)=O)[C@@H]4C(C)(C)[C@@H](O)CC5=O)C3(C2)[C@@H]1OC(C)=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C24H32O8/c1-11-14-6-7-15-22-10-30-24(29,23(15,9-14)19(11)31-12(2)25)20(32-13(3)26)18(22)21(4,5)16(27)8-17(22)28/h14-16,18-20,27,29H,1,6-10H2,2-5H3/t14-,15-,16-,18+,19+,20-,22?,23?,24-/m0/s1
0 references
InChIKey
NVVCDJSBEQXSFA-MJPCRGGLSA-N
0 references
CAS Registry Number
116513-89-4
0 references
PubChem CID
189407
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
59435095
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90922085
0 references
DSSTOX compound identifier
DTXCID301350972
0 references
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