chaetoglobosin J
Chemical Formula:
C32H36N2O4
Molecular Weight:
512.647 Daltons
Monoisotopic Mass:
512.2675076544 Daltons
SMILES:
CC1(C=C(C)C(O)C(=O)C=CC(=O)C23(C(C=CC1)C=C(C([CH]2C(NC(=O)3)CC4(C5(C(NC=4)=CC=CC=5)))C)C))
InChI:
1S/C32H36N2O4/c1-18-8-7-9-23-15-19(2)21(4)29-26(16-22-17-33-25-11-6-5-10-24(22)25)34-31(38)32(23,29)28(36)13-12-27(35)30(37)20(3)14-18/h5-7,9-15,17-18,21,23,26,29-30,33,37H,8,16H2,1-4H3,(H,34,38)/b9-7+,13-12+,20-14+/t18-,21+,23-,26-,29-,30+,32+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-17430
PubChem (CID):
15043485
ChemSpider:
10406717
ChEBI:
68735
MetaNetX:
MNXM103680