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Basic information
- CAS
33880-98-7- Standard SMILES
C=C1C2CC(O)C3C(O)C2(CC(O)C2(O)C1CC(O)C2(C)C)CC3(C)O- InChIKey
IHEDDHMJFFWQJA-UHFFFAOYSA-N- Molecular formula
- C20H32O6
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.21988874
Names & identifiers
- Preferred name
- Grayanotox-10-ene-3,5,6,12,14,16-hexol
- IUPAC
- 5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,12,14,16-hexol
Names & synonyms
grayanotox-10-ene-3,5,6,12,14,16-hexolDTXSID8095546833880-98-75,5,14-trimethyl-9-methylidenetetracyclo(11.2.1.01,10.04,8)hexadecane-3,4,6,12,14,16-hexol5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,12,14,16-hexolRefChem:346664DTXCID301383462(14R)-Grayanotox-10(20)-ene-3beta,5,6beta,12beta,14,16-hexol
Database identifiers
- CAS
33880-98-7- PubChem CID
- 169546
- DTXSID
DTXSID80955468
Properties
Computed structural propertiesFilling in
- XLogP
- -0.8
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 648
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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