sitosterol

Chemical Formula:

C₂₉H₅₀O

Molecular Weight:

414.713 Daltons

Monoisotopic Mass:

414.3861662271 Daltons

SMILES:

CCC(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))

InChI:

1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1

InChIKey:

KZJWDPNRJALLNS-VJSFXXLFSA-N

Synonyms

β-sitosterol
quebrachol
cinchol
cupreol
rhamnol
22,23-dihydrostigmasterol

Databases

MetaCyc: CPD-4143

RefMet: Sitosterol

MetaboLights: MTBLC27693

HMDB: HMDB00852

LIPID MAPS: LMST01040129

ChemSpider: 192962

PubChem (CID): 222284

ChEBI: 27693

KEGG: C01753

Seed: cpd01210

MetaNetX: MNXM3359