solasodine

Chemical Formula:

C₂₇H₄₃NO₂

Molecular Weight:

413.642 Daltons

Monoisotopic Mass:

413.3293796297 Daltons

SMILES:

CC1(CNC2(CC1)(C(C)C3([CH](O2)CC4(C(C)3CC[CH]5([CH]4CC=C6(C(C)5CCC(O)C6))))))

InChI:

1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22?,23+,24?,25+,26+,27-/m1/s1

InChIKey:

KWVISVAMQJWJSZ-RQOMMASJSA-N

Synonyms

spirosol-5-en-3-ol, (3β,22α,25R)-
solancarpidine
solasodin
solasod-5-en-3β-ol
purapuridine
tomatidenol
dehydrotomatidine

Databases

MetaCyc: CPD-13080

PubChem (CID): 102515074

ChEBI: 9190

HMDB: HMDB35282

CAS: 126-17-0

Seed: cpd07708

MetaNetX: MNXM9111

KEGG: C10822