14-Methylergosta-8,24(28)-Dien-3,6-Diol
[CAS# 120523-06-0]

Identification

• Name: 14-Methylergosta-8,24(28)-Dien-3,6-Diol
• Synonyms: (3S,6S,10S,13R,14R,17R)-17-[(1R)-1,5-Dimethyl-4-Methylene-Hexyl]-10,13,14-Trimethyl-1,2,3,4,5,6,7,11,12,15,16,17-Dodecahydrocyclopenta[A]Phenanthrene-3,6-Diol; (3S,6S,10S,13R,14R,17R)-17-[(1R)-1,5-Dimethyl-4-Methylenehexyl]-10,13,14-Trimethyl-1,2,3,4,5,6,7,11,12,15,16,17-Dodecahydrocyclopenta[A]Phenanthrene-3,6-Diol; (3S,6S,10S,13R,14R,17R)-17-[(1R)-4-Isopropyl-1-Methyl-Pent-4-Enyl]-10,13,14-Trimethyl-1,2,3,4,5,6,7,11,12,15,16,17-Dodecahydrocyclopenta[A]Phenanthrene-3,6-Diol
• Molecular Formula: C₂₉H₄₈O₂
• Molecular Weight: 428.70
• CAS Registry Number: 120523-06-0
• SMILES: [C@@]12([C@@]([C@H](CC1)[C@@H](CCC(C(C)C)=C)C)(CCC3=C2C[C@H](O)C4[C@@]3(CC[C@H](O)C4)C)C)C
• InChI: 1S/C29H48O2/c1-18(2)19(3)8-9-20(4)22-11-14-29(7)24-17-26(31)25-16-21(30)10-13-27(25,5)23(24)12-15-28(22,29)6/h18,20-22,25-26,30-31H,3,8-17H2,1-2,4-7H3/t20-,21+,22-,25?,26+,27-,28-,29+/m1/s1
• InChIKey: NJXNPGUJLIESKD-UTEOVFRVSA-N

Properties

• Density: 1.031g/cm³ (Cal.)
• Boiling point: 525.099°C at 760 mmHg (Cal.)
• Flash point: 214.136°C (Cal.)