Basic information
- CAS
63700-40-3- Standard SMILES
COc1ccc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc1OC- InChIKey
MKWAWTRNIPHOLB-SVIJTADQSA-N- Molecular formula
- C21H20O6
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.12598835
Overview
5'-Demethoxydeoxypodophyllotoxin is a lactone and a lignan.
Names & identifiers
- Preferred name
- 5'-Demethoxydeoxypodophyllotoxin
- IUPAC
- (5R,5aR,8aR)-5-(3,4-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
Names & synonyms
5'-DemethoxydeoxypodophyllotoxinMorelensin63700-40-3(-)-MorelensinNSC 267715(5R,5aR,8aR)-5-(3,4-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-oneC10551CHEBI:1959SCHEMBL29729547DTXSID10313219NSC267715NSC-267715
Show more names
BURSERA MICROPHYLLA B613802K088Q27105536(5R,5aR,8aR)-5-(3,4-Dimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
Database identifiers
- CAS
63700-40-3- PubChem CID
- 320372
- DTXSID
DTXSID10313219- ChEBI
CHEBI:1959- Nikkaji
- J955.235I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 567
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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