20-dihydro-chaetoglobosin A
Chemical Formula:
C32H38N2O5
Molecular Weight:
530.663 Daltons
Monoisotopic Mass:
530.2780723407001 Daltons
SMILES:
CC1(C=C(C)C(O)C(O)C=CC(=O)C23(C(C=CC1)C6(OC(C)(C([CH]2C(NC(=O)3)CC4(C5(C(NC=4)=CC=CC=5)))C)6)))
InChI:
1S/C32H38N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-14,16-17,19,22,24-25,27-29,33,35,37H,8,15H2,1-4H3,(H,34,38)/b10-7+,13-12+,18-14+/t17-,19-,22-,24-,25-,27-,28+,29-,31+,32+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-17432
PubChem (CID):
91820056
ChEBI:
68754
MetaNetX:
MNXM101677