Description
Symphonone I is a natural compound widely explored in the research of diverse malignancies.
IUPAC Name
(1R,3S,6S,17S,19S)-6,11,12-trihydroxy-18,18-dimethyl-3,17,19-tris(3-methylbut-2-enyl)-4-methylidene-15-oxapentacyclo[15.3.1.01,6.07,16.09,14]henicosa-7(16),9,11,13-tetraene-8,21-dione
Molecular Formula
C38H48O6
Canonical SMILES
CC(=CCC1CC23CC(C(C(C2=O)(C4=C(C3(CC1=C)O)C(=O)C5=CC(=C(C=C5O4)O)O)CC=C(C)C)(C)C)CC=C(C)C)C
InChI
InChI=1S/C38H48O6/c1-21(2)10-12-25-19-36-20-26(13-11-22(3)4)35(8,9)37(34(36)42,15-14-23(5)6)33-31(38(36,43)18-24(25)7)32(41)27-16-28(39)29(40)17-30(27)44-33/h10-11,14,16-17,25-26,39-40,43H,7,12-13,15,18-20H2,1-6,8-9H3/t25-,26-,36-,37-,38+/m0/s1
InChIKey
IXTPTNHKAHBGCY-UOAWKXACSA-N
Boiling Point
742.6±60.0 °C at 760 mmHg