GHS
GHS Classification Search
HeteroclitinJ
CAS Number: 936620-28-9
IUPAC name: [(1S,12R,13S,14S,15S)-12-acetyloxy-14-hydroxy-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-15-yl] benzoate
Molecular formula: C31H30O11
Molecular weight: 578.6
InChI: InChI=1S/C31H30O11/c1-15-23(41-16(2)32)18-11-21-24(40-14-39-21)26-22(18)31(13-38-26)19(12-20(36-4)25(37-5)27(31)33)28(30(15,3)35)42-29(34)17-9-7-6-8-10-17/h6-12,15,23,28,35H,13-14H2,1-5H3/t15-,23+,28-,30-,31-/m0/s1
InChIKey: YAPRWJSLXGLKMO-YUUVUCRZSA-N
SMILES: C[C@H]1[C@H](C2=CC3=C(C4=C2[C@]5(CO4)C(=CC(=C(C5=O)OC)OC)[C@@H]([C@@]1(C)O)OC(=O)C6=CC=CC=C6)OCO3)OC(=O)C
EINECS: -
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