(20S)-protopanaxadiol

Chemical Formula:

C₃₀H₅₂O₃

Molecular Weight:

460.739 Daltons

Monoisotopic Mass:

460.3916455355 Daltons

SMILES:

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

InChI:

1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24-,25-,27-,28+,29+,30-/m0/s1

InChIKey:

PYXFVCFISTUSOO-HKUCOEKDSA-N

Synonyms

(20S)-protopanaxadiol-type ginsenoside aglycone

Databases

MetaCyc: CPD-15449

KEGG: C20715

PubChem (CID): 11213350

MetaboLights: MTBLC75950

LIPID MAPS: LMPR0106080003

ChEBI: 75950

MetaNetX: MNXM119779