5-β-scymnol
Chemical Formula:
C27H48O6
Molecular Weight:
468.673 Daltons
Monoisotopic Mass:
468.3450892734 Daltons
SMILES:
CC(CCC(O)C(CO)CO)[CH]1(CC[CH]2(C(C)1C(O)C[CH]3([CH]2C(O)C[CH]4(C(C)3CCC(O)C4))))
InChI:
1S/C27H48O6/c1-15(4-7-22(31)16(13-28)14-29)19-5-6-20-25-21(12-24(33)27(19,20)3)26(2)9-8-18(30)10-17(26)11-23(25)32/h15-25,28-33H,4-14H2,1-3H3/t15-,17+,18-,19-,20+,21+,22-,23-,24+,25+,26+,27-/m1/s1
InChIKey:
Databases
MetaCyc:
5-BETA-SCYMNOL
PubChem (CID):
165531
ChEBI:
50106
KEGG:
C16260
RefMet:
5beta-Scymnol
Seed:
cpd14976
MetaNetX:
MNXM3876