Formula: C15H16O5

MW: 276.29

CAS: 77369-04-1

MDL: MFCD10039710

TNP:

3-(1,1-Dimethyl-2-propenyl)-7,8-dihydroxy-6-methoxy-2H-1-benzopyran-2-one; Obtusidin

LogP: 4.51

LogS: -5.1

Acceptors: 5

Donors: 1

Rotation Bonds: 6

Chiral Centers: 0

N+O: 5

LIPINSKY: 4

IUPAC: 7-((2Z)-4-hydroxy-3-methylbut-2-enyloxy)-6-methoxychromen-2-one

Smiles: c1c(OC\C=C(\C)CO)c(OC)cc2c1oc(cc2)=O

REFERENCE: Chemistry of Natural Compounds (1983) 18:157-160, March 01, 1983 By Matkarimov, A. D.; Batirov, E. Kh.; Malikov, V. M.; Seitmuratov, E. Show all (4)

SOURCE: The epigeal part of Haplophyllum obtusifolium Ledeb has yielded scopoletin and the following new coumarins: obtusidin, C15H16O5

Specification: 3-(1,1-Dimethyl-2-propenyl)-7,8-dihydroxy-6-methoxy-2H-1-benzopyran-2-one

3-(1,1-Dimethyl-2-propenyl)-7,8-dihydroxy-6-methoxy-2H-1-benzopyran-2-one Usage And Synthesis 3-(1,1-Dimethyl-2-propenyl)-7,8-dihydroxy-6-methoxy-2H-1-benzopyran-2-one

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Chemical Compounds - Natural Compounds