Stypotriol
[CAS# 71106-25-7]

Identification

• Name: Stypotriol
• Synonyms: (2S,4As,4Br,7S,10Ar)-1,1,4A,7,7',8A-Hexamethylspiro[2,3,4,4B,5,6,7,9,10,10A-Decahydrophenanthrene-8,2'-3H-Benzofuran]-2,4',5'-Triol; 16,24-Cyclo-13,17-Secochola-16,20(22),23-Triene-3,23,24-Triol, 14,17-Epoxy-4,4,8-Trimethyl-, (3Beta,5Alpha,13Alpha)-; Stypotriol
• Molecular Formula: C₂₇H₄₀O₄
• Molecular Weight: 428.61
• CAS Registry Number: 71106-25-7
• SMILES: [C@@H]34C(C1(OC2=C(C1)C(=C(O)C=C2C)O)[C@H](CC3)C)(CC[C@@H]5[C@@]4(CC[C@H](O)C5(C)C)C)C
• InChI: 1S/C27H40O4/c1-15-13-18(28)22(30)17-14-27(31-23(15)17)16(2)7-8-20-25(5)11-10-21(29)24(3,4)19(25)9-12-26(20,27)6/h13,16,19-21,28-30H,7-12,14H2,1-6H3/t16-,19-,20+,21-,25-,26?,27?/m0/s1
• InChIKey: HJSZCMVJNUBOQM-ALIOYUSOSA-N

Properties

• Density: 1.198g/cm³ (Cal.)
• Boiling point: 560.038°C at 760 mmHg (Cal.)
• Flash point: 292.501°C (Cal.)