Ventide
[CAS# 93686-59-0]

Identification

• Name: Ventide
• Synonyms: 4-[2-(Tert-Butylamino)-1-Hydroxy-Ethyl]-2-(Hydroxymethyl)Phenol; [(8S,10S,11S,13S,14S,16S,17R)-9-Chloro-11-Hydroxy-10,13,16-Trimethyl-3-Oxo-17-(2-Propanoyloxyacetyl)-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Propanoate; 4-[2-(Tert-Butyl
• Molecular Formula: C₄₁H₅₈ClNO₁₀
• Molecular Weight: 760.36
• CAS Registry Number: 93686-59-0
• SMILES: [C@H]12[C@@]([C@](OC(=O)CC)([C@H](C1)C)C(=O)COC(=O)CC)(C[C@H](O)C3(Cl)[C@H]2CCC4=CC(=O)C=C[C@]34C)C.C5=C(C(=CC=C5C(O)CNC(C)(C)C)O)CO
• InChI: 1S/C28H37ClO7.C13H21NO3/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5;1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3;4-6,12,14-17H,7-8H2,1-3H3/t16-,
• InChIKey: ASCBZCMRQCTAPJ-XEMJQECLSA-N

Properties

• Boiling point: 630.5°C at 760 mmHg (Cal.)
• Flash point: 335.1°C (Cal.)