31-O-desmethylFK-506

Chemical Formula:

C₄₃H₆₇NO₁₂

Molecular Weight:

790.002 Daltons

Monoisotopic Mass:

789.4663266210999 Daltons

SMILES:

C=CCC3(C(=O)CC(O)C(C(C(C)=CC1(CCC(O)C(O)C1))OC(=O)C2(CCCCN2C(=O)C(=O)C4(O)(OC(C(OC)CC(C)CC(C)=C3)C(OC)CC(C)4)))C)

InChI:

1S/C43H67NO12/c1-9-12-30-18-24(2)17-25(3)19-36(53-7)39-37(54-8)21-27(5)43(52,56-39)40(49)41(50)44-16-11-10-13-31(44)42(51)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(48)22-29/h9,18,20,25,27-33,35-39,45-46,48,52H,1,10-17,19,21-23H2,2-8H3/b24-18+,26-20+

InChIKey:

VHOPGJHKSPGXIZ-AMASXYNMSA-N

Synonyms

31-O-demethylFK-506

Databases

MetaCyc: CPD-10014

ChemSpider: 4947973

PubChem (CID): 6444024

Seed: cpd22530

MetaNetX: MNXM14645