Regelindiol B
[CAS# 84104-83-6]

Identification

• Name: Regelindiol B
• Synonyms: (2R,4S,4Ar,6Ar,6As,6Br,10S,12Ar,14Br)-4,10-Dihydroxy-2,4A,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-2-Carboxylic Acid Methyl Ester; Methyl 3,22-Dihydroxyolean-12-Ene-29-Oate; Olean-12-En-29-Oic Acid, 3,22-Dihydroxy-, Methyl Ester, (3Beta,20Alpha,22Alpha)-
• Molecular Formula: C₃₁H₅₀O₄
• Molecular Weight: 486.73
• CAS Registry Number: 84104-83-6
• SMILES: [C@@]13([C@]4(C(=CC[C@@H]1[C@@]2(C(C([C@@H](O)CC2)(C)C)CC3)C)[C@@H]5[C@@](CC4)([C@@H](O)C[C@@](C5)(C(OC)=O)C)C)C)C
• InChI: 1S/C31H50O4/c1-26(2)21-11-14-31(7)22(29(21,5)13-12-23(26)32)10-9-19-20-17-27(3,25(34)35-8)18-24(33)28(20,4)15-16-30(19,31)6/h9,20-24,32-33H,10-18H2,1-8H3/t20-,21?,22-,23+,24+,27-,28-,29+,30-,31-/m1/s1
• InChIKey: DNAMZLPKKDEZFD-AQERJKPSSA-N

Properties

• Density: 1.112g/cm³ (Cal.)
• Boiling point: 555.55°C at 760 mmHg (Cal.)
• Flash point: 168.622°C (Cal.)