2'-O-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone

Chemical Formula:

C₃₁H₄₆O₉

Molecular Weight:

562.699 Daltons

Monoisotopic Mass:

562.3141830755 Daltons

SMILES:

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

InChI:

1S/C31H46O9/c1-5-18-7-6-8-25(32)15(2)27(34)24-13-22-20(23(24)14-26(33)39-18)10-9-17-11-19(12-21(17)22)40-31-30(37-4)29(36)28(35)16(3)38-31/h9-10,13,15-23,25,28-32,35-36H,5-8,11-12,14H2,1-4H3/t15-,16+,17-,18+,19-,20-,21-,22-,23+,25+,28+,29-,30-,31+/m1/s1

InChIKey:

MZQOGEPCWATXRH-UOADEYMPSA-N

Synonyms

(2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-2- {[(3R,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-9-ethyl-13-hydroxy-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-14632

PubChem (CID): 90659061

MetaNetX: MNXM97380