Isobutyrylshikonin

CAS Registry Number®

52438-12-7
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CAS Name

Isobutyrylshikonin

Molecular Formula

C20H22O6

Molecular Mass

358.39

Cite this Page

Isobutyrylshikonin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52438-12-7 (retrieved 2024-06-27) (CAS RN: 52438-12-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H22O6/c1-10(2)5-8-16(26-20(25)11(3)4)12-9-15(23)17-13(21)6-7-14(22)18(17)19(12)24/h5-7,9,11,16,21-22H,8H2,1-4H3/t16-/m1/s1

InChIKey

InChIKey=BVRYLTBIGIAADD-MRXNPFEDSA-N

SMILES

O=C1C=2C(C(=O)C=C1[C@H](OC(C(C)C)=O)CC=C(C)C)=C(O)C=CC2O

Canonical SMILES

O=C1C=C(C(=O)C=2C(O)=CC=C(O)C12)C(OC(=O)C(C)C)CC=C(C)C

Other Names for this Substance

  • Propanoic acid, 2-methyl-, (1R)-1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-penten-1-yl ester
  • Propanoic acid, 2-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (R)-
  • Propanoic acid, 2-methyl-, (1R)-1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester
  • Isobutyrylshikonin
  • Isobutyroylshikonin

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