(17beta)-Estra-1,3,5(10)-Triene-3,17-Diol Hydrogen Sulfate
[CAS# 28814-94-0]

Identification

• Name: (17beta)-Estra-1,3,5(10)-Triene-3,17-Diol Hydrogen Sulfate
• Synonyms: Estra-1,3,5(10)-Triene-3,17-Diol (17Beta)-, Hydrogen Sulfate; Estradiol Sulfate
• Molecular Formula: C₁₈H₂₆O₆S
• Molecular Weight: 370.46
• CAS Registry Number: 28814-94-0
• EINECS: 249-252-5
• SMILES: [C@H]23[C@H]1[C@@]([C@@H](O)CC1)(CC[C@@H]2C4=C(CC3)C=C(O)C=C4)C.O=[S](=O)(O)O
• InChI: 1S/C18H24O2.H2O4S/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20;1-5(2,3)4/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3;(H2,1,2,3,4)/t14-,15-,16+,17+,18+;/m1./s1
• InChIKey: LDSYPJSYQOUQMN-CMZLOHJFSA-N

Properties

• Boiling point: 445.9°C at 760 mmHg (Cal.)
• Flash point: 209.6°C (Cal.)