(1S,3S)-10-[[(1S,3S)-1,11-Dihydroxy-8-Methoxy-3-Methyl-7,12-Dioxo-1,2,3,4-Tetrahydrobenzo[h]Phenanthren-10-Yl]Methyl]-1,11-Dihydroxy-8-Methoxy-3-Methyl-1,2,3,4-Tetrahydrobenzo[B]Phenanthrene-7,12-Dione
[CAS# 139501-93-2]

Identification

• Name: (1S,3S)-10-[[(1S,3S)-1,11-Dihydroxy-8-Methoxy-3-Methyl-7,12-Dioxo-1,2,3,4-Tetrahydrobenzo[h]Phenanthren-10-Yl]Methyl]-1,11-Dihydroxy-8-Methoxy-3-Methyl-1,2,3,4-Tetrahydrobenzo[B]Phenanthrene-7,12-Dione
• Synonyms: (1S,3S)-10-[[(1S,3S)-1,11-Dihydroxy-7,12-Diketo-8-Methoxy-3-Methyl-1,2,3,4-Tetrahydrobenzo[H]Phenanthren-10-Yl]Methyl]-1,11-Dihydroxy-8-Methoxy-3-Methyl-1,2,3,4-Tetrahydrobenzo[B]Phenanthrene-7,12-Quinone; Benz(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*)))-; Hatomarubigin D
• Molecular Formula: C₄₁H₃₆O₁₀
• Molecular Weight: 688.73
• CAS Registry Number: 139501-93-2
• SMILES: [C@@H]3(O)C2=C1C(=O)C4=C(C(=O)C1=CC=C2C[C@@H](C3)C)C(=CC(=C4O)CC8=C(O)C6=C(C(=O)C5=CC=C7C(=C5C6=O)[C@@H](O)C[C@H](C7)C)C(=C8)OC)OC
• InChI: 1S/C41H36O10/c1-16-9-18-5-7-22-30(28(18)24(42)11-16)40(48)34-32(38(22)46)26(50-3)14-20(36(34)44)13-21-15-27(51-4)33-35(37(21)45)41(49)31-23(39(33)47)8-6-19-10-17(2)12-25(43)29(19)31/h5-8,14-17,24-25,42-45H,9-13H2,1-4H3/t16-,17-,24-,25-/m0/s1
• InChIKey: AASPEXAITKEFPE-SEMUBUJISA-N

Properties

• Density: 1.433g/cm³ (Cal.)
• Boiling point: 981.965°C at 760 mmHg (Cal.)
• Flash point: 308.482°C (Cal.)