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(Q82874806)
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English
3,15-Dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
trichothecane sesquiterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
366.20423867999995
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Sporotrichol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1=CC2OC3C(O)CC(C)(C2(CO)CC1OC(=O)CC(C)C)C31CO1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)(C34CO4)[C@@]2(CO)C[C@@H]1OC(=O)CC(C)C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H30O6/c1-11(2)5-16(23)25-14-8-19(9-21)15(6-12(14)3)26-17-13(22)7-18(19,4)20(17)10-24-20/h6,11,13-15,17,21-22H,5,7-10H2,1-4H3/t13-,14+,15-,17-,18-,19-,20?/m1/s1
0 references
InChIKey
RCFUVEKOPPKTBN-XHNUPVCRSA-N
0 references
CAS Registry Number
101401-89-2
0 references
PubChem CID
180975
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
RCFUVEKOPPKTBN-XHNUPVCRSA-N
UniChem compound ID
56323184
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30906142
1 reference
matched by identifier from
InChIKey
InChIKey
RCFUVEKOPPKTBN-XHNUPVCRSA-N
DSSTOX compound identifier
DTXCID001335240
0 references
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