Dermostatin B
[CAS# 51141-40-3]

Identification

• Name: Dermostatin B
• Synonyms: (16S,17S,18R,20R,22R,24S,26S,28R,30R,32R,35S,36S)-16,18,20,22,24,26,28,30,32-Nonahydroxy-17,35-Dimethyl-36-Sec-Butyl-1-Oxacyclohexatriaconta-3,5,7,9,11,13,33-Heptaen-2-One; Dermostatin B; Dermostatin A, 35-De(1-Methylethyl)-35-(1-Methylpropyl)-
• Molecular Formula: C₄₁H₆₆O₁₁
• Molecular Weight: 734.97
• CAS Registry Number: 51141-40-3
• SMILES: [C@H]1(OC(=O)\C=C/C=C\C=C/C=C\C=C/C=C\C[C@H](O)[C@@H]([C@H](O)C[C@H](O)C[C@H](O)C[C@@H](O)C[C@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)\C=C/[C@@H]1C)C)[C@H](CC)C
• InChI: 1S/C41H66O11/c1-5-28(2)41-29(3)19-20-31(42)21-32(43)22-33(44)23-34(45)24-35(46)25-36(47)26-37(48)27-39(50)30(4)38(49)17-15-13-11-9-7-6-8-10-12-14-16-18-40(51)52-41/h6-16,18-20,28-39,41-50H,5,17,21-27H2,1-4H3/b7-6-,10-8-,11-9-,14-12-,15-13-,18-16-,20-19-/t28-,29-,30-,31-,32-,33-,34+,35-,36+,37+,38-,39+,41-/m0/s1
• InChIKey: VRTOYGUQNUQDJB-SELVXUJQSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 958.2±65.0°C at 760 mmHg (Cal.)
• Flash point: 282.5±27.8°C (Cal.)