Cyclamiretin C
Basic information
- CAS
66655-98-9- Standard SMILES
CC12CCC3(COC1O)C(O)CC1(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC41C)C3C2- InChIKey
RHESJLAFCRCDGX-UHFFFAOYSA-N- Molecular formula
- C30H48O4
- Average molar mass
- 472.7 g/mol
- Monoisotopic mass
- 472.35526001
Overview
28,29-Epoxyolean-12-ene-3,16,29-triol has been reported in Cyclamen persicum, Cyclamen cyprium, and other organisms with data available.
Names & identifiers
- Preferred name
- Cyclamiretin C
- IUPAC
- 4,5,9,9,13,20-hexamethyl-22-oxahexacyclo[18.3.2.01,18.04,17.05,14.08,13]pentacos-16-ene-2,10,21-triol
- English name
- cyclamiretin C
- Molecular formula
- C30H48O4
- Molecular weight
- 472.7
Names & synonyms
Cyclamiretin C66655-98-94,5,9,9,13,20-hexamethyl-22-oxahexacyclo[18.3.2.01,18.04,17.05,14.08,13]pentacos-16-ene-2,10,21-triol4,5,9,9,13,20-hexamethyl-22-oxahexacyclo(18.3.2.01,18.04,17.05,14.08,13)pentacos-16-ene-2,10,21-triolRefChem:12917628,29-epoxyolean-12-ene-3,16,29-triolDTXSID10985238Olean-12-ene-3,16,29-triol, 28,29-epoxy-, (3beta,16alpha,20beta)-Olean-12-ene-3,16,29-triol, 28,29-epoxy-, (3β,16α,20β)- (9CI)
Database identifiers
- CAS
66655-98-9- PubChem CID
- 125635
- DTXSID
DTXSID10985238
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 911
Physicochemical properties
- Boiling point
- 593.965 · 593.965±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.171 · 1.171±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.961 · 12.961±0.70(predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…