(16A,17B)-Estra-1,3,5(10)-Triene-3,16,17-Triol Tripropanoate
[CAS# 2236-31-9]

Identification

• Name: (16A,17B)-Estra-1,3,5(10)-Triene-3,16,17-Triol Tripropanoate
• Synonyms: Propanoic Acid [(8R,9S,13S,14S,16R,17R)-13-Methyl-3,16-Bis(1-Oxopropoxy)-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Propionic Acid [(8R,9S,13S,14S,16R,17R)-13-Methyl-3,16-Dipropionyloxy-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₂₇H₃₆O₆
• Molecular Weight: 456.58
• CAS Registry Number: 2236-31-9
• EINECS: 218-798-6
• SMILES: [C@H]34[C@H]1[C@@H](C2=C(CC1)C=C(OC(=O)CC)C=C2)CC[C@@]3([C@@H](OC(=O)CC)[C@H](OC(=O)CC)C4)C
• InChI: 1S/C27H36O6/c1-5-23(28)31-17-9-11-18-16(14-17)8-10-20-19(18)12-13-27(4)21(20)15-22(32-24(29)6-2)26(27)33-25(30)7-3/h9,11,14,19-22,26H,5-8,10,12-13,15H2,1-4H3/t19-,20-,21+,22-,26+,27+/m1/s1
• InChIKey: ONMZMZJEZHMWQL-REUUDLSRSA-N

Properties

• Density: 1.178g/cm³ (Cal.)
• Boiling point: 543.467°C at 760 mmHg (Cal.)
• Flash point: 230.465°C (Cal.)