protopanaxatriol

Chemical Formula:

C₃₀H₅₂O₄

Molecular Weight:

476.738 Daltons

Monoisotopic Mass:

476.3865601576 Daltons

SMILES:

CC(=CCCC([CH]1([CH]2(C(C)(CC1)C3(C)(CC(O)[CH]4(C(C(O)CCC(C)([CH](CC(O)2)3)4)(C)C)))))(C)O)C

InChI:

1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20+,21-,22+,23-,24-,25-,27+,28+,29+,30-/m0/s1

InChIKey:

SHCBCKBYTHZQGZ-CJPZEJHVSA-N

Synonyms

protopanaxatriol-type ginsenoside aglycone

Databases

MetaCyc: CPD-15447

KEGG: C20716

PubChem (CID): 11468733

MetaboLights: MTBLC75951

ChEBI: 75951

MetaNetX: MNXM145876