NEOCHROME

Structure

2D structure of NEOCHROME
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 101526842

Names and identifiers

Name

NEOCHROME

IUPAC name

(1R,3S)-6-((3E,5E,7E,9E,11E,13E,15Z)-16-((6S,7aR)-6-hydroxy-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydrobenzofuran-2-yl)-3,7,12-trimethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-ylidene)-1,5,5-trimethylcyclohexane-1,3-diol

SMILES

C/C(=C\C=C\C=C(/C)\C=C\C=C(\C)/C1C=C2[C@](O1)(C[C@H](CC2(C)C)O)C)/C=C/C=C(\C)/C=C=C3[C@](C[C@H](CC3(C)C)O)(C)O

General information

Molecular formula

C40H56O4

Molecular weight

600.88 g/mol

Monoisotopic mass

600.4179 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Medicago sativa L. flower -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Medicago sativa L. leaf -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.