3-acetylneosolaniol
Chemical Formula:
C21H28O9
Molecular Weight:
424.447 Daltons
Monoisotopic Mass:
424.1733324977 Daltons
SMILES:
CC2(C(O)CC1(COC(=O)C)(C4(C(OC(C)=O)C(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))
InChI:
1S/C21H28O9/c1-10-6-15-20(7-14(10)25,8-26-11(2)22)19(5)17(29-13(4)24)16(28-12(3)23)18(30-15)21(19)9-27-21/h6,14-18,25H,7-9H2,1-5H3/t14-,15?,16+,17+,18?,19?,20+,21?/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-18414
PubChem (CID):
102515307
MetaNetX:
MNXM164211