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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H32O13
Molecular Weight 564.5352
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALOINOSIDE B

SMILES

C[C@@H]1O[C@@H](OCC2=CC(O)=C3C(=O)C4=C(O)C=CC=C4[C@@H]([C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C3=C2)[C@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=BUPDVJFRVYWYEV-SGAFVUFDSA-N
InChI=1S/C27H32O13/c1-9-19(31)22(34)25(37)27(39-9)38-8-10-5-12-16(26-24(36)23(35)20(32)15(7-28)40-26)11-3-2-4-13(29)17(11)21(33)18(12)14(30)6-10/h2-6,9,15-16,19-20,22-32,34-37H,7-8H2,1H3/t9-,15+,16+,19-,20+,22+,23-,24+,25+,26-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H32O13
Molecular Weight 564.5352
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
23W95EU5SK
Record Status Validated (UNII)
Record Version