1-O-[(4E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoyl]-beta-D-glucopyranuronic acid

Basic Information

1-O-[(4E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoyl]-beta-D-glucopyranuronic acid

CAS Number

99043-04-6

Molecular Formula

C23H28O12

Molecular Weight

496.465 g/mol

Quick Actions

Basic Physical Properties

Melting Point

94-96°C

Boiling Point

804.952°C at 760 mmHg

Density

1.525

Flash Point

275.037°C

Refractive Index

1.631

SMILES

CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)OC3C(C(C(C(O3)C(=O)O)O)O)O)O

InChI

InChI=1S/C23H28O12/c1-9(4-6-11-15(25)14-12(8-33-22(14)31)10(2)19(11)32-3)5-7-13(24)34-23-18(28)16(26)17(27)20(35-23)21(29)30/h4,16-18,20,23,25-28H,5-8H2,1-3H3,(H,29,30)/b9-4+/t16-,17-,18+,20-,23+/m0/s1

InChIKey

QBMSTEZXAMABFF-UEARNRKISA-N

LogP

0.08401999999999954

Topological Polar Surface Area

189.27999999999997 Ų

Hydrogen Bond Donor/Acceptor

5 / 12

Complexity

827

Classification & Uses

Chemical Classification

Pharmaceutical Products
APIs & Intermediates
Intermediates

Safety Information

Synonyms & References

English

  • C20383
  • Q27133380
  • Mycophenolic acid acyl-b-D-glucuronide
  • mycophenolic acid acyl-glucuronide
  • 99043-04-6
  • Mycophenolic Acid Acyl-
  • CHEBI:64689
  • mycophenolic acid O-acyl-glucuronide
  • 1-O-[(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoyl]-beta-D-glucopyranuronic acid
  • mycophenolic acid acyl glucuronide
  • AcMPAG
  • (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]oxyoxane-2-carboxylic acid
  • Mycophenolic Acid Acyl-?-D-glucuronide
  • Mycophenolic Acid Acyl-beta-D-glucuronide
  • A-D-glucuronide
  • B96732OXNA
  • Mycophenolic Acid Acyl- beta -D-glucuronide
  • .BETA.-D-GLUCOPYRANURONIC ACID, 1-((4E)-6-(1,3-DIHYDRO-4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-5-ISOBENZOFURANYL)-4-METHYL-1-OXO-4-HEXENOATE)
  • mycophenolic acid-O-acyl-beta-D-glucopyranuronoside
  • beta-D-Glucopyranuronic acid, 1-((4E)-6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-1-oxo-4-hexenoate)
  • UNII-B96732OXNA
  • DTXSID501343826
  • W-204182
  • Mycophenolic Acid Acyl-b-D-glucuronide
  • Mycophenolic Acid Ac
  • MYCOPHENOLIC ACID ACYL-ß-D-GLUCURONIDE
  • Mycophenolic Acid Acyl-β-D-glucuronide
  • 1-O-[(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzo

MDL_Number

MFCD11977846

CAS Number

99043-04-6

Supplier Information

Supplier Name Member Level Authentication Status Main Category MOQ Action
ChinaChina - Shanghai Yinxin Laboratory Equipment Co., Ltd.
ChinaChina - Shanghai Jieshukai Biotechnology Co., Ltd.
ChinaChina - Shanghai SameSharp Biotechnology Co., Ltd.
ChinaChina - Shanghai Hansi Chemical Co., Ltd.
ChinaChina - Shanghai Jixiang Biotechnology Co., Ltd.
ChinaChina - Shanghai Aladdin Bio-Technologies Co., Ltd.
ChinaChina - Shanghai Yuyeh Biotechnology Co., Ltd.

Related Compounds

4287-20-1 - 1-Amino-3-phenoxy-2-propanol hydrochloride (1:1)

4287-20-1

3970-37-4 - 1-Bromo-2-chloro-3-nitrobenzene

3970-37-4

590417-55-3 - 4-Bromo-1-methyl-1H-indole

590417-55-3

78686-83-6 - Methyl 2-chloro-5-iodonicotinate

78686-83-6

480425-35-2 - Methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

480425-35-2

219763-87-8 - 4-Bromo-6-quinolinecarboxylic acid

219763-87-8

180508-09-2 - 5-Chloro-7-methyl-1H-benzimidazole

180508-09-2

175205-58-0 - 4,6-Dichloro-2H-chromene-3-carbaldehyde

175205-58-0

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