Isoacteoside
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Product Description
Product
Isoacteoside
CAS
61303-13-7
Formula
C29H36O15
Typical Product Specifications
Molecular weight
624.59
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)OCCc3ccc(c(c3)O)O)COC(=O)/C=C/c4ccc(c(c4)O)O)O)O)O)O
InChI
FNMHEHXNBNCPCI-QEOJJFGVSA-N
InChIKey
1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27-,28+,29-/m0/s1
Class
Isoacteoside
Product Description
Product
Isoacteoside
CAS
61303-13-7
Formula
C29H36O15
Typical Product Specifications
Molecular weight
624.59
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)OCCc3ccc(c(c3)O)O)COC(=O)/C=C/c4ccc(c(c4)O)O)O)O)O)O
InChI
FNMHEHXNBNCPCI-QEOJJFGVSA-N
InChIKey
1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27-,28+,29-/m0/s1
Class
