Pristimerin | CAS No. 1258-84-0

Pristimerin

Basic Information

CAS Number

1258-84-0

Molecular Formula

C30H40O4

Molecular Weight

464.65 g/mol

AD

Basic Physical Properties

Physical State

Prowder

Melting Point

219.5°C

Boiling Point

488.1°C (rough estimate)

Flash Point

195.1°C

Solubility

DMSO: ≥5mg/mL

Refractive Index

1.4800 (estimate)

CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)OC)C)C)C)C)O

InChI

InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27+,28+,29-,30+/m1/s1

InChIKey

JFACETXYABVHFD-ZAZHENERSA-N

LogP

6.786100000000008

Topological Polar Surface Area

63.6 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

1120

Safety Information

View Safety Information

Storage Conditions

-20℃

Synonyms & References

English

  • HY-N1937
  • Celastrol-methylether
  • s9404
  • 2-Picenecarboxylic acid, 1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-, methyl ester, (2R,4aS,6aS,12bR,14aS,14bR)-
  • KBio1_001689
  • Pristimerin
  • DivK1c_006745
  • CCG-38723
  • BDBM50481947
  • KBio3_002621
  • CHEMBL54804
  • MEGxp0_000269
  • A889902
  • D:A-Friedo-24-noroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, methyl ester, (20alpha)-
  • Spectrum4_001681
  • Q-100112
  • (9.BETA.,13.ALPHA.,14.BETA.,20.ALPHA.)-3-HYDROXY-9,13-DIMETHYL-2-OXO-24,25,26-TRINOROLEANA-1(10),3,5,7-TETRAEN-29-OIC ACID
  • 1258-84-0
  • CHEBI:8416
  • Q27108073
  • methyl rac-(2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
  • CS-6257
  • ACon0_000836
  • AC-34029
  • methyl (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
  • NCGC00178090-01
  • methyl (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylate
  • SCHEMBL15020
  • SpecPlus_000649
  • KBio2_007174
  • 24-Nor-D:A-friedooleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, methyl ester

MDL Number

MFCD01711331

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