3,4,15-triacetoxyscirpenol

Chemical Formula:

C₂₁H₂₈O₈

Molecular Weight:

408.447 Daltons

Monoisotopic Mass:

408.17841787559996 Daltons

SMILES:

CC2(CCC1(COC(=O)C)(C4(C(OC(C)=O)C(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))

InChI:

1S/C21H28O8/c1-11-6-7-20(9-25-12(2)22)15(8-11)29-18-16(27-13(3)23)17(28-14(4)24)19(20,5)21(18)10-26-21/h8,15-18H,6-7,9-10H2,1-5H3/t15?,16-,17-,18?,19-,20-,21?/m1/s1

InChIKey:

YWQOKOBRSAAKTG-MPMAQDKVSA-N

Synonyms

acetylanguidine

Databases

MetaCyc: CPD-18413

PubChem (CID): 102514955

ChemSpider: 65844

MetaNetX: MNXM163663