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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H30O11
Molecular Weight 518.5098
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RUBRATOXIN B

SMILES

[H][C@]1(CC2=C([C@H](O)[C@]([H])([C@H](O)CCCCCC)C3=C(C1)C(=O)OC3=O)C(=O)OC2=O)[C@H](O)[C@@H]4CC=CC(=O)O4

InChI

InChIKey=ZJTBTDVZNGBSNG-RETZLTROSA-N
InChI=1S/C26H30O11/c1-2-3-4-5-7-15(27)20-18-13(23(31)36-25(18)33)10-12(21(29)16-8-6-9-17(28)35-16)11-14-19(22(20)30)26(34)37-24(14)32/h6,9,12,15-16,20-22,27,29-30H,2-5,7-8,10-11H2,1H3/t12-,15+,16-,20+,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H30O11
Molecular Weight 518.5098
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
J38U4758MY
Record Status Validated (UNII)
Record Version