17-(3'-Hydroxypropyl)-1,3,5,6,8(9)-Estrapentaene-3,17-Diol
[CAS# 93239-10-2]

Identification

• Name: 17-(3'-Hydroxypropyl)-1,3,5,6,8(9)-Estrapentaene-3,17-Diol
• Synonyms: 17-(3'-Hydroxypropyl)-1,3,5,6,8(9)-Estrapentaene-3,17-Diol; Ohpeped
• Molecular Formula: C₂₁H₂₆O₃
• Molecular Weight: 326.43
• CAS Registry Number: 93239-10-2
• SMILES: [C@@]34(CCC1=C(C=CC2=CC(=CC=C12)O)[C@@H]3CC[C@@]4(O)CCCO)C
• InChI: 1S/C21H26O3/c1-20-10-7-17-16-6-4-15(23)13-14(16)3-5-18(17)19(20)8-11-21(20,24)9-2-12-22/h3-6,13,19,22-24H,2,7-12H2,1H3/t19-,20-,21-/m0/s1
• InChIKey: QDSQCMLGDJWGCT-ACRUOGEOSA-N

Properties

• Density: 1.233g/cm³ (Cal.)
• Boiling point: 538.967°C at 760 mmHg (Cal.)
• Flash point: 249.79°C (Cal.)