(l)-Edunol
Basic information
- CAS
33909-74-9- Standard SMILES
CC(C)=CCc1cc2c(cc1O)OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4- InChIKey
UFBHHWPUVXVFRG-BTYIYWSLSA-N- Molecular formula
- C21H20O5
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.13107373
Overview
(l)-Edunol has been reported in Oxytropis falcata with data available.
Names & identifiers
- Preferred name
- (l)-Edunol
- IUPAC
- (1R,12R)-15-(3-methylbut-2-enyl)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol
Names & synonyms
33909-74-9ZVBPULMDW4Edunol, (-)-(l)-EdunolNSC-356826NSC356826NSC 356826UNII-ZVBPULMDW4(-)-EDUNOLorb1740066CHEMBL1976045DTXSID30955498
Show more names
NCI60_003227T69414(-)-2-ISOPENTENYL-3-HYDROXY-8,9-METHYLENEDIOXYPTEROCARPAN(6aR,12aR)-2-(3-Methylbut-2-en-1-yl)-6a,12a-dihydro-6H,9H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c][1]benzopyran-3-ol(6aR,12aR)-2-(3-Methylbut-2-en-1-yl)-6a,12a-dihydro-6H-[1,3]dioxolo[4',5':5,6]benzofuro[3,2-c]chromen-3-ol(6AR,12AR)-6A,12A-DIHYDRO-2-(3-METHYL-2-BUTEN-1-YL)-6H-(1,3)DIOXOLO(5,6)BENZOFURO(3,2-C)(1)BENZOPYRAN-3-OL2-(3-Methylbut-2-en-1-yl)-6a,12a-dihydro-6H,9H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c][1]benzopyran-3-ol6H-(1,3)DIOXOLO(5,6)BENZOFURO(3,2-C)(1)BENZOPYRAN-3-OL, 6A,12A-DIHYDRO-2-(3-METHYL-2-BUTEN-1-YL)-, (6AR,12AR)-
Database identifiers
- CAS
33909-74-9- PubChem CID
- 182148
- DTXSID
DTXSID30955498- ChEMBL
CHEMBL1976045- UNII
- ZVBPULMDW4
- Nikkaji
- J93.184E
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 559
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Related reactions
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Compound notes
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