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Details

Stereochemistry UNKNOWN
Molecular Formula C31H42O11
Molecular Weight 590.6586
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MIOTOXIN C

SMILES

C[C@@H](OC(C)=O)[C@@H]1OCC(O)C(C)(O)CC(=O)OC[C@]23CCC(C)=C[C@H]2O[C@@H]4C[C@@H](OC(=O)C=C\C=C\1)[C@@]3(C)[C@]45CO5

InChI

InChIKey=FVICMOOJTXCWJF-KZCYGPEDSA-N
InChI=1S/C31H42O11/c1-18-10-11-30-16-38-27(35)14-28(4,36)22(33)15-37-21(19(2)40-20(3)32)8-6-7-9-26(34)42-23-13-25(41-24(30)12-18)31(17-39-31)29(23,30)5/h6-9,12,19,21-25,33,36H,10-11,13-17H2,1-5H3/b8-6+,9-7-/t19-,21-,22?,23-,24-,25-,28?,29-,30-,31+/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H42O11
Molecular Weight 590.6586
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 8 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
A3P82TOH4E
Record Status Validated (UNII)
Record Version