rhamnosyl tetracyclic spinosyn pseudoaglycone
Chemical Formula:
C30H44O9
Molecular Weight:
548.672 Daltons
Monoisotopic Mass:
548.2985330113 Daltons
SMILES:
CCC4(OC(=O)C[CH]3([CH]2(C=C[CH]5(CC(OC1(C(O)C(O)C(O)C(C)O1))C[CH]([CH]2C=C3C(=O)C(C)C(CCC4)O)5))))
InChI:
1S/C30H44O9/c1-4-17-6-5-7-24(31)14(2)26(33)23-12-21-19(22(23)13-25(32)38-17)9-8-16-10-18(11-20(16)21)39-30-29(36)28(35)27(34)15(3)37-30/h8-9,12,14-22,24,27-31,34-36H,4-7,10-11,13H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21-,22+,24+,27+,28-,29-,30+/m1/s1
InChIKey:
Synonyms
- (2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-13-hydroxy-14-methyl-2-{[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-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-14631
PubChem (CID):
90658056
MetaNetX:
MNXM97605