γ-solanine

Chemical Formula:

C₃₃H₅₄NO₆

Molecular Weight:

560.793 Daltons

Monoisotopic Mass:

560.3951134712 Daltons

SMILES:

CC1(CCC2([N+](C1)C3(CC4(C(C)(C(C(C)2)3)CCC5(C4CC=C6(C(C)5CCC(C6)OC7(OC(C(C(C7O)O)O)CO)))))))

InChI:

1S/C33H53NO6/c1-17-5-8-24-18(2)27-25(34(24)15-17)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)39-31-30(38)29(37)28(36)26(16-35)40-31/h6,17-18,20-31,35-38H,5,7-16H2,1-4H3/p+1/t17-,18+,20?,21+,22-,23-,24+,25-,26+,27-,28-,29-,30+,31?,32-,33-/m0/s1

InChIKey:

IDGKMGZVTKHZDA-XSHLZPODSA-O

Synonyms

beta-D-Galactopyranoside, (3beta)-solanid-5-en-3-yl

Databases

MetaCyc: CPD-9213

PubChem (CID): 25245074

Seed: cpd25607

MetaNetX: MNXM13303