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(Q82963999)
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English
5-(2-Hydroxy-6-methylhept-5-en-2-yl)-3-methyl-8-methylidene-1,3a,4,5,6,7,8,8a-octahydroazulen-4-ol
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
prenylguaiane diterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
304.240230264
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3aR,4S,5S,8aS)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methyl-8-methylidene-3a,4,5,6,7,8a-hexahydro-1H-azulen-4-ol
1 reference
based on heuristic
inferred from InChI
(3aS,4S,5R,8aR)-5-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methyl-8-methylidene-3a,4,5,6,7,8a-hexahydro-1H-azulen-4-ol
1 reference
based on heuristic
inferred from InChI
(3aS,4S,5R,8aS)-5-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methyl-8-methylidene-3a,4,5,6,7,8a-hexahydro-1H-azulen-4-ol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₂O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C=C1CCC(C(C)(O)CCC=C(C)C)C(O)C2C(C)=CCC12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C=C1CC[C@@H](C(C)(O)CCC=C(C)C)[C@@H](O)[C@@H]2C(C)=CC[C@@H]12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H32O2/c1-13(2)7-6-12-20(5,22)17-11-9-14(3)16-10-8-15(4)18(16)19(17)21/h7-8,16-19,21-22H,3,6,9-12H2,1-2,4-5H3/t16-,17+,18+,19+,20?/m0/s1
0 references
InChIKey
WSCIOJNUJRINER-BJKADDSPSA-N
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CAS Registry Number
62858-25-7
0 references
PubChem CID
3085254
1 reference
matched by identifier from
InChIKey
InChIKey
WSCIOJNUJRINER-BJKADDSPSA-N
DSSTox substance ID
DTXSID70978580
1 reference
matched by identifier from
InChIKey
InChIKey
WSCIOJNUJRINER-BJKADDSPSA-N
DSSTOX compound identifier
DTXCID701405892
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