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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H40O9
Molecular Weight 496.5904
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NINANDROGRAPHOLIDE

SMILES

C[C@@]2(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CC[C@@]3(C)[C@H](CCC4=CCOC4=O)C(=C)CC[C@H]23

InChI

InChIKey=MEEPUSVTMHGIPC-MVGASCEISA-N
InChI=1S/C26H40O9/c1-14-4-7-18-25(2,16(14)6-5-15-9-11-33-23(15)32)10-8-19(28)26(18,3)13-34-24-22(31)21(30)20(29)17(12-27)35-24/h9,16-22,24,27-31H,1,4-8,10-13H2,2-3H3/t16-,17-,18+,19-,20-,21+,22-,24-,25+,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H40O9
Molecular Weight 496.5904
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
Z87B39FVT4
Record Status Validated (UNII)
Record Version