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Details

Stereochemistry ABSOLUTE
Molecular Formula C45H76O12S
Molecular Weight 841.143
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 5
Charge 0

SHOW SMILES / InChI
Structure of KM-043

SMILES

CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@H]1O[C@H](CS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1O)COC(=O)CCC\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CC

InChI

InChIKey=IIDPUWZBYVLQEU-QPUINQHXSA-N
InChI=1S/C45H76O12S/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(46)54-35-38(36-55-45-44(50)43(49)42(48)39(57-45)37-58(51,52)53)56-41(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20,22,25,27,38-39,42-45,48-50H,3-4,6,8-10,12,14-16,19,21,23-24,26,28-37H2,1-2H3,(H,51,52,53)/b7-5+,13-11+,18-17+,22-20+,27-25+/t38-,39-,42-,43+,44-,45+/m1/s1

HIDE SMILES / InChI

Molecular Formula C45H76O12S
Molecular Weight 841.143
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 5
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
CVV2LM2MRQ
Record Status Validated (UNII)
Record Version