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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H48O9
Molecular Weight 576.7181
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CERBERIN

SMILES

[H][C@@]6(O[C@H]1CC[C@@]2(C)[C@]([H])(CC[C@]3([H])[C@]2([H])CC[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5)C1)O[C@@H](C)[C@H](O)[C@@H](OC)[C@@H]6OC(C)=O

InChI

InChIKey=UYQMTWMXBKEHJQ-IVHDSYOHSA-N
InChI=1S/C32H48O9/c1-17-26(35)27(37-5)28(40-18(2)33)29(39-17)41-21-8-11-30(3)20(15-21)6-7-24-23(30)9-12-31(4)22(10-13-32(24,31)36)19-14-25(34)38-16-19/h14,17,20-24,26-29,35-36H,6-13,15-16H2,1-5H3/t17-,20+,21-,22+,23-,24+,26-,27+,28-,29-,30-,31+,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula C32H48O9
Molecular Weight 576.7181
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 13 / 13
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
KW5A155S64
Record Status Validated (UNII)
Record Version