LOLITRIOL
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 72734303
Name
LOLITRIOL
IUPAC name
(2S,3R,3aR,4aS,4bS,6aS,8aR,11aR,15bS,15cR,17aS)-3,4b-dihydroxy-2-(2-hydroxypropan-2-yl)-9,9,11,11,15b,15c-hexamethyl-3,3a,4b,5,6a,8,8a,9,11,11a,15,15b,15c,16,17,17a-hexadecahydro-2H,6H-isobenzofuro[5,6-e]oxireno[2'',3'':4',4a']chromeno[5',6':6,7]indeno[1,2-b]indol-12(7H)-one
SMILES
C[C@]12CC[C@H]3[C@@]4([C@@]1(CC[C@@H]5[C@@]2(C6=C(C5)C7=C(N6)C=CC8=C7C[C@@H]9[C@@H](C8=O)C(OC9(C)C)(C)C)C)O)[C@H](O4)[C@@H]([C@H](O3)C(C)(C)O)O
Molecular formula
C37H49NO7
Molecular weight
619.80 g/mol
Monoisotopic mass
619.3509 Da
Pathway:
Superclass:
Class:
Glycoside:
No
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Lolium perenne L. | seed | - |
Munday-finch, S.C., Wilkins, A.L., Miles, C.O. (1998). Isolation of lolicine a, lolicine b, lolitriol, and lolitrem n from Lolium perenne infected with Neotyphodium lolii and evidence for the natural occurrence of 31-epilolitrem n and 31-epilolitrem F. J Agr Food Chem, 46(2), 590-598 doi:10.1021/jf9706787
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