Salvianolic acid B[丹酚酸B]

Salvianolic acid B[丹酚酸B]

CAS:115939-25-8

SKU： NCC.115939.25.8 分类：
保证安全结账

CAS Registry Number®

121521-90-2

CAS Name

Salvianolic acid B

Molecular Formula

C36H30O16

Molecular Mass

718.61

Compound Properties

  • Melting Point (1)

    >250 °C

Source(s)

  • (1) Chen, Zhengxiong; Yaoxue Tongbao, (1981), 16(9), 24-5, CAplus

Other Names and Identifiers

InChI

InChI=1S/C36H30O16/c37-20-6-1-16(11-24(20)41)13-27(34(45)46)50-29(44)10-5-18-3-9-23(40)33-30(18)31(32(52-33)19-4-8-22(39)26(43)15-19)36(49)51-28(35(47)48)14-17-2-7-21(38)25(42)12-17/h1-12,15,27-28,31-32,37-43H,13-14H2,(H,45,46)(H,47,48)/b10-5+/t27-,28-,31+,32-/m1/s1

InChIKey

InChIKey=SNKFFCBZYFGCQN-VWUOOIFGSA-N

SMILES

C(O[C@H](CC1=CC(O)=C(O)C=C1)C(O)=O)(=O)[C@H]2C=3C(O[C@@H]2C4=CC(O)=C(O)C=C4)=C(O)C=CC3/C=C/C(O[C@H](CC5=CC(O)=C(O)C=C5)C(O)=O)=O

Canonical SMILES

O=C(OC(C(=O)O)CC1=CC=C(O)C(O)=C1)C=CC2=CC=C(O)C=3OC(C4=CC=C(O)C(O)=C4)C(C(=O)OC(C(=O)O)CC5=CC=C(O)C(O)=C5)C23

Other Names for this Substance

  • 3-Benzofurancarboxylic acid, 4-[(1E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propen-1-yl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, 3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl] ester, (2S,3S)-
  • 3-Benzofurancarboxylic acid, 4-[3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propenyl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, 3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl] ester, [2S-[2α,3β(S*),4[E(S*)]]]-
  • 3-Benzofurancarboxylic acid, 4-[(1E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propenyl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, 3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl] ester, (2S,3S)-
  • Lithospermic acid B
  • Dan Shen Suan B
  • Danfensuan B
  • Salvianolic acid B
  • ZINC 49538628
  • Lithospermate B
  • Salvianolate

Deleted or Replaced CAS Registry Numbers

80996-17-4, 115939-25-8, 911193-33-4

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