(20S,22S,25S)-22,25-epoxyfurost-5-ene-3-β,26-diol

Chemical Formula:

C₂₇H₄₂O₄

Molecular Weight:

430.626 Daltons

Monoisotopic Mass:

430.30830983659996 Daltons

SMILES:

CC2(C1(CCC(CO)(C)O1)O[CH]3([CH]2C6([CH](C3)[CH]4([CH](C5(C)(C(=CC4)CC(O)CC5))CC6))(C)))

InChI:

1S/C27H42O4/c1-16-23-22(30-27(16)12-11-24(2,15-28)31-27)14-21-19-6-5-17-13-18(29)7-9-25(17,3)20(19)8-10-26(21,23)4/h5,16,18-23,28-29H,6-15H2,1-4H3/t16-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1

InChIKey:

NELZMZLNTYWIPD-MLBSDYKWSA-N

Synonyms

Nuatigenin

Databases

MetaCyc: 20S22S25S-2225-EPOXYFUROST

RefMet: Nuatigenin

LIPID MAPS: LMST01090001

ChemSpider: 389387

PubChem (CID): 440453

ChEBI: 15574

KEGG: C04715

Seed: cpd02871

MetaNetX: MNXM4743