Isovalerylshikonin

Catalog Number

ACM52387141

Product Name

Isovalerylshikonin

Structure

CAS

52387-14-1

Category

Heterocyclic Organic Compound

Synonyms

NSC344556, Isovalerylshikonin, Alkannin isovalerate, AC1L7HGD, SureCN13389448, UTOUNDHZJFIVPK-UHFFFAOYSA-, (R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthyl)-4-methyl-3-pentenyl isovalerate, ALKANNIN, ISOVALIRIC ACID ISVL, NSC-344556, I0422, [1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbutanoate, 5,8-Dihydroxy-2-(1-isovaleryloxy-4-methyl-3-pentenyl)-1,4-naphthalenedione, 1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-methyl-3-pentenyl 3-methylbutanoate, 52387-14-1, InChI=1/C21H24O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,10,12,17,22-23H,8-9H2,1-4H3

IUPAC Name

[1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbutanoate

Molecular Weight

372.41

Molecular Formula

C₂₁H₂₄O₆

Canonical SMILES

CC(C)CC(=O)OC(CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O

InChI Key

UTOUNDHZJFIVPK-UHFFFAOYSA-N

Boiling Point

570.1ºC at 760 mmHg

Melting Point

107ºC

Flash Point

198.6ºC

Density

1.246g/cm³

Exact Mass

372.15700

H-Bond Acceptor

6

H-Bond Donor

2

MSDS

COA

Spec Sheet