bacteriohopanetetrol

Chemical Formula:

C₃₅H₆₂O₄

Molecular Weight:

546.872 Daltons

Monoisotopic Mass:

546.4648104786 Daltons

SMILES:

CC(CCC(O)C(O)C(O)CO)C1(CCC2(C)(C1CCC3(C)(C2CCC4(C(C)3CCC5(C(C)4CCCC(C)(C)5)))))

InChI:

1S/C35H62O4/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h22-30,36-39H,8-21H2,1-7H3/t22?,23?,24?,25-,26+,27?,28?,29?,30-,32+,33+,34-,35-/m1/s1

InChIKey:

JMKBTQYGOKJMBJ-CFWIQLKESA-N

Synonyms

32,33,34,35-bacteriohopanetetrol
LMPR04000004

Databases

MetaCyc: CPD-14519

PubChem (CID): 90657957

ChEBI: 132468

MetaNetX: MNXM43258

KEGG: C21119