tomatidine

Molecular Formula: C₂₇H₄₅NO₂

InChI: InChI=1/C27H45NO2/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/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1

InChIKey: InChIKey=XYNPYHXGMWJBLV-VXPJTDKGBR
SMILES: [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]5([H])O[C@@]6(CC[C@H](C)CN6)[C@@H](C)[C@]45[H])[C@@]1(C)CC[C@H](O)C2

CAS number 77-59-8

Names:
    Prestwick_473
    Tomatidine
    Tomatidin
    Tomatidine
    tomatidine
    (3β,5α,22β,25S)-spirosolan-3-ol
    5α-tomatidan-3β-ol
    77-59-8

Registries:
    PubChem CID 65576
    Beilstein =91747
    CAS 77-59-8 (from NIST)
    ChEBI 9629
    Kegg C10826
    PubChem ID 10321472
    PubChem ID 13009