1,2,15,16-Tetrahydro-12-((1-Oxo-5-Phenylpentyl)Oxy)-Daphnetoxin
[CAS# 124392-15-0]

Identification

• Name: 1,2,15,16-Tetrahydro-12-((1-Oxo-5-Phenylpentyl)Oxy)-Daphnetoxin
• Synonyms: Octahydromezerein
• Molecular Formula: C₃₈H₄₆O₁₀
• Molecular Weight: 662.78
• CAS Registry Number: 124392-15-0
• SMILES: C8=C(C45OC27C(C1OC1(C(O)C3(O)C2CC(C3=O)C)CO)C(O4)C(O5)(C(OC(=O)CCCCC6=CC=CC=C6)C7C)C(C)C)C=CC=C8
• InChI: 1S/C38H46O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-10,13-14,16-17,21-23,26,28,30-33,39,42-43H,11-12,15,18-20H2,1-4H3
• InChIKey: PXVGITCSLQQEDI-UHFFFAOYSA-N

Properties

• Density: 1.377g/cm³ (Cal.)