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Culmorin

HCID 115285
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Basic information

CAS
18374-83-9
Standard SMILES
CC1(C)CCC[C@]2(C)[C@H]3[C@H](O)C[C@]2(C)C(O)[C@H]31
InChIKey
VWMGBHVRRNKOAE-PDMNRUCYSA-N
Molecular formula
C15H26O2
Average molar mass
238.371 g/mol
Monoisotopic mass
238.19328007

Names & identifiers

Preferred name
Culmorin
IUPAC
(1S,3R,3aS,4R,8aR,9R)-1,5,5,8a-Tetramethyldecahydro-1,4-methanoazulene-3,9-diol
English name
culmorin
Molecular formula
C15H26O2
Molecular weight
238.37

Names & synonyms

culmorin(1R,3aβ,9S)-Decahydro-1,5,5,8aβ-tetramethyl-1,4α-methanoazulene-3β,9-diol1,4-Methanoazulene-3,9-diol, decahydro-1,5,5,8a-tetramethyl-, (1S,3R,3aS,4R,8aR,9R)-

Database identifiers

CAS
18374-83-9
PubChem CID
115285
DTXSID
DTXSID10891805

Properties

Physicochemical properties

Melting point
175 °C · 175 °C
Boiling point
321.2 · 321.2±10.0 °C(Predicted)
Density
1.088 · 1.088±0.06 g/cm3(Predicted)
pka
14.71 · 14.71±0.70(Predicted)
FDA UNII
4 JEZ89Z9LA · 4JEZ89Z9LA

Chemistry & industry

Suppliers2 total

湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
青岛贞开生物医药技术有限公司0532-58268781 18561687109 · [email protected]

Additional notes

DefinitionChEBI: Culmorin is a sesquiterpenoid fungal metabolite isolated from Fusarium culmorum. It has a role as a fungal metabolite and a mycotoxin. It is a sesquiterpenoid, a diol, a carbotricyclic compound and a secondary alcohol.

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