10-hydroxy-8-[(3R)-10-hydroxy-7-methoxy-3-methyl-1,6,9-trioxo-3,4-dihydrobenzo[g]isochromen-8-yl]-7-methoxy-3-methylbenzo[g]isochromene-1,6,9-trione
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Basic information
- CAS
70477-24-6- Standard SMILES
COC1=C(C2=C(OC)C(=O)c3cc4cc(C)oc(=O)c4c(O)c3C2=O)C(=O)c2c(cc3c(c2O)C(=O)O[C@H](C)C3)C1=O- InChIKey
FWPNUDGFIYCCNI-SNVBAGLBSA-N- Molecular formula
- C30H20O12
- Average molar mass
- 572.5 g/mol
- Monoisotopic mass
- 572.09547607
Names & identifiers
- Preferred name
- 10-hydroxy-8-[(3R)-10-hydroxy-7-methoxy-3-methyl-1,6,9-trioxo-3,4-dihydrobenzo[g]isochromen-8-yl]-7-methoxy-3-methylbenzo[g]isochromene-1,6,9-trione
- IUPAC
- 10-hydroxy-8-[(3R)-10-hydroxy-7-methoxy-3-methyl-1,6,9-trioxo-3,4-dihydrobenzo[g]isochromen-8-yl]-7-methoxy-3-methylbenzo[g]isochromene-1,6,9-trione
- English name
- (3R)-3,4-Dihydro-10,10'-dihydroxy-7,7'-dimethoxy-3α,3'-dimethyl-8,8'-bi[1H-naphtho[2,3-c]pyran]-1,1',6,6',9,9'-hexone
- Molecular formula
- C30H20O12
- Molecular weight
- 572.4726
Names & synonyms
3,4-Dehydroxanthomegnin(3R)-3,4-Dihydro-10,10'-dihydroxy-7,7'-dimethoxy-3α,3'-dimethyl-8,8'-bi[1H-naphtho[2,3-c]pyran]-1,1',6,6',9,9'-hexone
Database identifiers
- CAS
70477-24-6- PubChem CID
- 101305717
- Nikkaji
- J168.867G
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 3
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,420
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