Ustusolate A
[CAS# 1136611-58-9]

Identification

• Name: Ustusolate A
• Synonyms: 6-O-(octa-2E,4E,6E-trienoyl)-12-hydroxy-6-epi-albrassitriol; 2,4,6-Octatrienoic acid, (1R,4S,4aS,8aS)-1,4,4a,5,6,7,8,8a-octahydro-4-hydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-1-naphthalenyl ester, (2E,4E,6E)-
• Molecular Formula: C₂₃H₃₄O₅
• Molecular Weight: 390.51
• CAS Registry Number: 1136611-58-9
• SMILES: CC=CC=CC=CC(=O)OC1C=C(C(C2(C1C(CCC2)(C)C)C)(CO)O)CO
• InChI: 1S/C23H34O5/c1-5-6-7-8-9-11-19(26)28-18-14-17(15-24)23(27,16-25)22(4)13-10-12-21(2,3)20(18)22/h5-9,11,14,18,20,24-25,27H,10,12-13,15-16H2,1-4H3/b6-5+,8-7+,11-9+/t18-,20+,22+,23-/m1/s1
• InChIKey: VYUGROORELIDOB-MOHQOPMHSA-N

Properties

• Density: 1.15±0.1g/cm³ (Cal.)
• Boiling point: 542.4±50.0°C (Cal.)
• solubility: Soluble in Methanol