rhamnosyl tricyclic spinosyn pseudoaglycone
Chemical Formula:
C30H44O9
Molecular Weight:
548.672 Daltons
Monoisotopic Mass:
548.2985330113 Daltons
SMILES:
CCC3(OC(=O)C=C[CH]2(C=C[CH]4(CC(OC1(C(O)C(O)C(O)C(C)O1))C[CH]([CH]2C=CC(=O)C(C)C(CCC3)O)4)))
InChI:
1S/C30H44O9/c1-4-20-6-5-7-24(31)16(2)25(32)12-11-22-18(10-13-26(33)38-20)8-9-19-14-21(15-23(19)22)39-30-29(36)28(35)27(34)17(3)37-30/h8-13,16-24,27-31,34-36H,4-7,14-15H2,1-3H3/b12-11+,13-10+/t16-,17+,18+,19-,20+,21-,22-,23-,24+,27+,28-,29-,30+/m1/s1
InChIKey:
Synonyms
- (2R,3aS,5aS,10S,14S,15R,18aS,18bR)-10-ethyl-14-hydroxy-15-methyl-2-{[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1H,2H,3H,3aH,5aH,8H,10H,11H,12H,13H,14H,15H,16H,18aH,18bH-indeno[5,4-e]oxacyclopentadecane-8,16-dione
Databases
MetaCyc:
CPD-14630
PubChem (CID):
90659239
MetaNetX:
MNXM97606