(6beta,7beta,8beta,10beta)-8,10-Epoxy-8-Methoxy-2,3-(Methylenebis(Oxy))-Hasubanan-6,7-Diol 6-(3,4-Dimethoxybenzoate)
[CAS# 152013-83-7]

Identification

• Name: (6beta,7beta,8beta,10beta)-8,10-Epoxy-8-Methoxy-2,3-(Methylenebis(Oxy))-Hasubanan-6,7-Diol 6-(3,4-Dimethoxybenzoate)
• Synonyms: 4'-O-Methylstephavanine
• Molecular Formula: C₂₇H₂₉NO₉
• Molecular Weight: 511.53
• CAS Registry Number: 152013-83-7
• SMILES: [C@H]17OC6(OC)C4(C(C2=CC3=C(C=C12)OCO3)(CCN4)C[C@H](OC(C5=CC=C(C(=C5)OC)OC)=O)[C@@H]6O)C7
• InChI: 1S/C27H29NO9/c1-31-17-5-4-14(8-18(17)32-2)24(30)36-22-11-25-6-7-28-26(25)12-21(37-27(26,33-3)23(22)29)15-9-19-20(10-16(15)25)35-13-34-19/h4-5,8-10,21-23,28-29H,6-7,11-13H2,1-3H3/t21-,22+,23+,25?,26?,27?/m1/s1
• InChIKey: FQTGWQFUPQBOJP-UHPCZMERSA-N

Properties

• Density: 1.483g/cm³ (Cal.)
• Boiling point: 684.643°C at 760 mmHg (Cal.)
• Flash point: 367.859°C (Cal.)