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14,18-Epoxy-3-hydroxy-5-oxoophiobola-7,19-dien-25-oic acid

HCID 178532005
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Basic information

CAS
27975-44-6
Standard SMILES
CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4[C@H](C(=O)C[C@@]4(C)O)C(C(=O)O)=CC[C@H]32)O1
InChIKey
DONIWYSZCJFKOC-UVPQKNJBSA-N
Molecular formula
C25H36O5
Average molar mass
416.55 g/mol

Names & identifiers

Preferred name
14,18-Epoxy-3-hydroxy-5-oxoophiobola-7,19-dien-25-oic acid
English name
14,18-Epoxy-3-hydroxy-5-oxoophiobola-7,19-dien-25-oic acid
Molecular formula
C25H36O5
Molecular weight
416.55

Names & synonyms

Ophiobolic acid14,18-Epoxy-3-hydroxy-5-oxoophiobola-7,19-dien-25-oic acidSpiro[dicyclopenta[a,d]cyclooctene-3(2H),2'(3'H)-furan]-6-carboxylic acid, 1,3a,4,4',5',6a,7,8,9,9a,10,10a-dodecahydro-9-hydroxy-3',9,10a-trimethyl-5'-(2-methyl-1-propenyl)-7-oxo-, (2'S,3'S,3aR,5'R,6aS,9R,9aS,10aR)- (9CI)

Database identifiers

CAS
27975-44-6

Properties

Physicochemical properties

Boiling point
573.213 · 573.213±50.00 °C(Press: 760.00 Torr)(predicted)
Density
1.195 · 1.195±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
4.165 · 4.165±0.70(predicted)

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