solanidine

Chemical Formula:

C₂₇H₄₄NO

Molecular Weight:

398.651 Daltons

Monoisotopic Mass:

398.3422900397 Daltons

SMILES:

CC1(C[N+]2(C3(CC4(C(C)(C(C(C)C(CC1)2)3)CCC5(C4CC=C6(C(C)5CCC(O)C6))))))

InChI:

1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/p+1/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1

InChIKey:

JVKYZPBMZPJNAJ-OQFNDJACSA-O

Synonyms

Solatubine
solanidin
Solanid-5-en-3beta-ol
3-beta-Solanid-5-en-3-ol

Databases

MetaCyc: CPD-9217

RefMet: Solanidine

ChEBI: 28374

HMDB: HMDB03236

PubChem (CID): 25244262 65727

KEGG: C06543

Seed: cpd03952

MetaNetX: MNXM7774