(3αS,21S)-strictosidinate

(3α<i>S</i>,21<i>S</i>)-strictosidinate




Chemical Formula:
C26H32N2O9
Molecular Weight:
516.547 Daltons
Monoisotopic Mass:
517.2186056686 Daltons
SMILES:
C=C[CH]4([CH](C[CH]3(C2(NC1(=CC=CC=C1C=2CC[N+]3))))C(C(=O)[O-])=CO[CH]4OC5(OC(C(C(C5O)O)O)CO))
InChI:
1S/C26H32N2O9/c1-2-12-15(9-18-20-14(7-8-27-18)13-5-3-4-6-17(13)28-20)16(24(33)34)11-35-25(12)37-26-23(32)22(31)21(30)19(10-29)36-26/h2-6,11-12,15,18-19,21-23,25-32H,1,7-10H2,(H,33,34)/t12-,15+,18+,19+,21+,22-,23+,25+,26-/m1/s1
InChIKey:
CMMIVMFGFIBAGC-BZFWDVQSSA-N

Synonyms
  • (3αS,21S)-strictosidinic acid

Databases
MetaCyc:  CPD-21271
PubChem (CID):  134819970