(6beta,7alpha,8xi,9xi,10xi,14xi,17beta)-6-[(6beta,7alpha,8xi,9xi,10xi,14xi,17beta)-17-Acetoxy-7-Allyl-3-Oxoestr-4-En-6-Yl]-7-Allyl-3-Oxoestr-4-En-17-Yl Acetate
[CAS# 119020-36-9]

Identification

• Name: (6beta,7alpha,8xi,9xi,10xi,14xi,17beta)-6-[(6beta,7alpha,8xi,9xi,10xi,14xi,17beta)-17-Acetoxy-7-Allyl-3-Oxoestr-4-En-6-Yl]-7-Allyl-3-Oxoestr-4-En-17-Yl Acetate
• Synonyms: 6,6-Baoaa; 6,6'-Bi(7-allyl-3-oxo-4-estren-17-yl acetate)
• Molecular Formula: C₄₆H₆₂O₆
• Molecular Weight: 710.98
• CAS Registry Number: 119020-36-9
• SMILES: O=C8\C=C3/C(C2CC[C@]1(C)[C@@H](OC(=O)C)CCC1C2[C@H](C\C=C)[C@H]3[C@H]6C\4=C\C(=O)CCC/4C5CC[C@@]7([C@@H](OC(=O)C)CCC7C5[C@@H]6C\C=C)C)CC8
• InChI: 1S/C46H62O6/c1-7-9-33-41-31(19-21-45(5)37(41)15-17-39(45)51-25(3)47)29-13-11-27(49)23-35(29)43(33)44-34(10-8-2)42-32(30-14-12-28(50)24-36(30)44)20-22-46(6)38(42)16-18-40(46)52-26(4)48/h7-8,23-24,29-34,37-44H,1-2,9-22H2,3-6H3/t29?,30?,31?,32?,33-,34-,37?,38?,39-,40-,41?,42?,43+,44+,45-,46-/m0/s1
• InChIKey: HNBIJMUYMMGCRY-ZBJJYREYSA-N

Properties

• Density: 1.163g/cm³ (Cal.)
• Boiling point: 769.507°C at 760 mmHg (Cal.)
• Flash point: 306.061°C (Cal.)
• Refractive index: 1.573 (Cal.)