Completing data — refresh the page later to see the latest
Basic information
- CAS
139501-93-2- Standard SMILES
COc1cc(Cc2cc(OC)c3c(c2O)C(=O)c2c(ccc4c2[C@@H](O)C[C@@H](C)C4)C3=O)c(O)c2c1C(=O)c1ccc3c(c1C2=O)[C@@H](O)C[C@@H](C)C3- InChIKey
AASPEXAITKEFPE-SEMUBUJISA-N- Molecular formula
- C41H36O10
- Average molar mass
- 688.7 g/mol
- Monoisotopic mass
- 688.23084734
Names & identifiers
- Preferred name
- Hatomarubigin D
- IUPAC
- (1S,3S)-10-[[(1S,3S)-1,11-dihydroxy-8-methoxy-3-methyl-7,12-dioxo-1,2,3,4-tetrahydrobenzo[a]anthracen-10-yl]methyl]-1,11-dihydroxy-8-methoxy-3-methyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione
- English name
- hatomarubigin D
- Molecular formula
- C41H36O10
- Molecular weight
- 688.72
Names & synonyms
Hatomarubigin D139501-93-2DTXSID90161078(1S,3S)-10-[[(1S,3S)-1,11-dihydroxy-8-methoxy-3-methyl-7,12-dioxo-1,2,3,4-tetrahydrobenzo[a]anthracen-10-yl]methyl]-1,11-dihydroxy-8-methoxy-3-methyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dioneBenz(a)anthracene-7,12-dione, 10,10'-methylenebis(1,2,3,4-tetrahydro-1,11-dihydroxy-8-methoxy-3-methyl-, (1S-(1alpha,3alpha,10(1'R*,3'R*)))-(1S,3S)-10-(((1S,3S)-1,11-dihydroxy-8-methoxy-3-methyl-7,12-dioxo-1,2,3,4-tetrahydrobenzo(a)anthracen-10-yl)methyl)-1,11-dihydroxy-8-methoxy-3-methyl-1,2,3,4-tetrahydrobenzo(a)anthracene-7,12-dioneRefChem:145342DTXCID8083569SCHEMBL29400824CHEBI:220196(1S,1'S,3S,3'S)-10,10'-Methylenebis(1,11-dihydroxy-8-methoxy-3-methyl-1,2,3,4-tetrahydrotetraphene-7,12-dione)Hatomarubigine D
Show more names
10,10'-Methylenebis[1,2,3,4-tetrahydro-3β-methyl-8-methoxy-1β,11-dihydroxybenz[a]anthracene-7,12-dione]
Properties
Computed structural propertiesFilling in
- XLogP
- 6.7
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,300
Physicochemical properties
- Boiling point
- 981.965 · 981.965±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.433 · 1.433±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.667 · 6.667±0.60(predicted)
Chemistry & industry
Suppliers2 total
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
武汉丽合智造生物科技有限公司18971458902 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…