Description
IUPAC Name: [(11S,12S,13S)-12-hydroxy-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-yl] benzoate
InChI: InChI=1S/C29H28O9/c1-15-10-17-11-19-23(36-13-34-19)25(32-3)21(17)22-18(12-20-24(26(22)33-4)37-14-35-20)27(29(15,2)31)38-28(30)16-8-6-5-7-9-16/h5-9,11-12,15,27,31H,10,13-14H2,1-4H3/t15-,27-,29-/m0/s1
InChIKey: PGEJVRVFUGSAJF-SSEZWIOCSA-N
Canonical SMILES: CC1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4C(C1(C)O)OC(=O)C6=CC=CC=C6)OCO5)OC)OC)OCO3
Isomeric SMILES: C[C@H]1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4[C@@H]([C@@]1(C)O)OC(=O)C6=CC=CC=C6)OCO5)OC)OC)OCO3
Synonyms: Schisantherin D; 64917-82-4; schizantherin D; UNII-9DKR8Q4EZC; 9DKR8Q4EZC; SHISANTHERIN D; Cycloocta(1,2-f:3,4-f’)bis(1,3)benzodioxole-5,6-diol, 5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl-, 5-benzoate, stereoisomer; CYCLOOCTA(1,2-F:3,4-F’)BIS(1,3)BENZODIOXOLE-5,6-DIOL, 5,6,7,8-TETRAHYDRO-13,14-DIMETHOXY-6,7-DIMETHYL-, 5-BENZOATE, (5S,6S,7S,13AS)-; …
Botanical Source: