2',3'-O-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone

Chemical Formula:

C₃₂H₄₈O₉

Molecular Weight:

576.726 Daltons

Monoisotopic Mass:

576.3298331397 Daltons

SMILES:

CCC4(OC(=O)C[CH]3([CH]2(C=C[CH]5(CC(OC1(C(OC)C(OC)C(O)C(C)O1))C[CH]([CH]2C=C3C(=O)C(C)C(CCC4)O)5))))

InChI:

1S/C32H48O9/c1-6-19-8-7-9-26(33)16(2)28(35)25-14-23-21(24(25)15-27(34)40-19)11-10-18-12-20(13-22(18)23)41-32-31(38-5)30(37-4)29(36)17(3)39-32/h10-11,14,16-24,26,29-33,36H,6-9,12-13,15H2,1-5H3/t16-,17+,18-,19+,20-,21-,22-,23-,24+,26+,29+,30-,31-,32+/m1/s1

InChIKey:

XDCIOTHEPAPFRV-LIFZQOIMSA-N

Synonyms

(2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-13-hydroxy-2-{[(3R,4R,5S,6S)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}-14-methyl-1H,2H,3H,3aH,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dione

Databases

MetaCyc: CPD-14633

PubChem (CID): 90658688

MetaNetX: MNXM97378