Glaucarubol
Basic information
- CAS
1448-22-2- Standard SMILES
CC1=CC(O)C(O)C2(C)C1CC1OC(=O)C(O)C3C(C)C(O)C4(O)OCC13C42- InChIKey
YJIBLZYQKYKXFP-UHFFFAOYSA-N- Molecular formula
- C20H28O8
- Average molar mass
- 396.4 g/mol
- Monoisotopic mass
- 396.17841785
Overview
GLAUCARUBOL has been reported in Picrolemma with data available.
Names & identifiers
- Preferred name
- Glaucarubol
- IUPAC
- 4,5,8,16,17-pentahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one
Names & synonyms
GLAUCARUBOLNSC14974MLS0027028191448-22-21,2,11,12,15-pentahydroxy-11,20-epoxypicras-3-en-16-onepentahydroxy(trimethyl)[?]oneCHEMBL1719883DTXSID80279979NSC-14974NCI60_001033PD011322SMR001566647
Show more names
1,2,4,10,11-Pentahydroxy-3,8,11a-trimethyl-1,2,3,3a,4,6a,7,7a,10,11,11a,11b-dodecahydro-5H-1,11c-(epoxymethano)dibenzo[de,g]chromen-5-one
Database identifiers
- CAS
1448-22-2- PubChem CID
- 225484
- DTXSID
DTXSID80279979- ChEMBL
CHEMBL1719883、CHEMBL472650
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 767
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Related reactions
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Compound notes
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