10-deacetyl-2-debenzoylbaccatin III

Chemical Formula:

C₂₂H₃₂O₉

Molecular Weight:

440.489 Daltons

Monoisotopic Mass:

440.20463262609996 Daltons

SMILES:

CC4(C(O)CC3(O)(C(O)[CH]2(C1(COC1CC(O)C(C)2C(=O)C(O)C(C(C)(C)3)=4)(OC(=O)C))))

InChI:

1S/C22H32O9/c1-9-11(24)7-22(29)18(28)16-20(5,17(27)15(26)14(9)19(22,3)4)12(25)6-13-21(16,8-30-13)31-10(2)23/h11-13,15-16,18,24-26,28-29H,6-8H2,1-5H3/t11-,12-,13+,15+,16-,18-,20+,21-,22+/m0/s1

InChIKey:

LHXBWTCSJBQSGI-QOBCYHTASA-N

Databases

MetaCyc: 10-DEACETYL-2-DEBENZOYLBACCATIN-III

ChemSpider: 391702

PubChem (CID): 443489

ChEBI: 32897

KEGG: C11899

RefMet: 10-Deacetyl-2-debenzoylbaccatin III 10-deacetyl-2-debenzoylbaccatin III

Seed: cpd08697

MetaNetX: MNXM1976