(1S,5R,6S,9S,11R,13S,15S,16S,17R,19S,21S)-6,21-Dimethyl-21-(4-Methyl-3-Methylenepentyl)-14,18,20-Trioxaheptacyclo[15.4.1.0^2,16.0^2,19.0^5,15.0^6,11.0^13,15]Docosan-9-Ol
[CAS# 110945-69-2]

Identification

• Name: (1S,5R,6S,9S,11R,13S,15S,16S,17R,19S,21S)-6,21-Dimethyl-21-(4-Methyl-3-Methylenepentyl)-14,18,20-Trioxaheptacyclo[15.4.1.0^2,16.0^2,19.0^5,15.0^6,11.0^13,15]Docosan-9-Ol
• Synonyms: (3β,5α,7β,15β,18S)-7,8:15,18:18,20-Triepoxyergost-24(28)-en-3-ol; 7,8:15,18:18,20-Triepoxyergost-24(28)-en-3-ol (3β,5α,7β,15β,18S)-
• Molecular Formula: C₂₈H₄₂O₄
• Molecular Weight: 442.63
• CAS Registry Number: 110945-69-2
• SMILES: O1[C@@H]3C[C@@H]2[C@@](O[C@H]1C24[C@@H]3[C@@]57O[C@H]7C[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC4)(CCC(=C)/C(C)C)C
• InChI: 1S/C28H42O4/c1-15(2)16(3)6-10-26(5)21-14-19-23-27(21,24(30-19)32-26)11-8-20-25(4)9-7-18(29)12-17(25)13-22-28(20,23)31-22/h15,17-24,29H,3,6-14H2,1-2,4-5H3/t17-,18+,19-,20-,21-,22+,23-,24+,25+,26+,27?,28-/m1/s1
• InChIKey: WUKYEOQJBJKFPH-NCKMKIHNSA-N

Properties

• Density: 1.186g/cm³ (Cal.)
• Boiling point: 546.966°C at 760 mmHg (Cal.)
• Flash point: 284.595°C (Cal.)
• Refractive index: 1.576 (Cal.)