Analyte Name

Diacetoxyscirpenol-13C4

CAS Number

910537-26-7

Molecular Formula

13C4 C15 H26 O7

Molecular Weight

370.376

Accurate Mass

370.181

SMILES

[13CH3][13C](=O)OC[C@]12CCC(=C[C@H]1O[C@@H]3[C@H](O)[C@@H](O[13C](=O)[13CH3])[C@@]2(C)[C@]34CO4)C

InChI

InChI=1S/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3/t13-,14-,15-,16-,17-,18-,19+/m1/s1/i2+1,3+1,11+1,12+1

IUPAC

[(1S,2R,7R,9R,10R,11S,12S)-11-acetyloxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate

Unlabelled CAS Number

2270-40-8

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat