Triptolide | CAS No. 38748-32-2

Triptolide

Basic Information

CAS Number

38748-32-2

Molecular Formula

C20H24O6

Molecular Weight

360.41 g/mol

AD

Basic Physical Properties

Physical State

White powder

Melting Point

228.0 to 235.0 deg-C

Boiling Point

412.43°C (rough estimate)

Flash Point

220.7 °C

Solubility

DMSO: soluble

Refractive Index

1.4450 (estimate)

Specific Rotation

D25 -154°

CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2O)O7)COC6=O)C

InChI

InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1

InChIKey

DFBIRQPKNDILPW-CIVMWXNOSA-N

LogP

1.1030999999999993

Topological Polar Surface Area

84.12 Ų

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

819

Safety Information

View Safety Information

GHS Hazard Pictograms

H300H300

Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Storage Conditions

-20℃

Toxicity

LD50 i.p. in mice: 1.93 mg/kg (Chen)

Synonyms & References

English

  • NSC163062
  • HMS1989P17
  • IDI1_034065
  • NS00018025
  • BRD-K39484304-001-16-5
  • Q-100450
  • CHEBI:9747
  • MLS000759410
  • MLS006010844
  • SCHEMBL413634
  • KBio3_000629
  • CS-0286
  • MLS001424107
  • BRD-K39484304-001-02-5
  • NSC839303
  • PG-490
  • HMS1791P17
  • (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-6-hydroxy-8b-methyl-6a-(propan-2-yl)-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one
  • CPD000466307
  • NCGC00163411-07
  • KBio2_002883
  • BP-25386
  • CCG-100957
  • (5bS,6aS,7aS,8R,8aR,9aS,9bS,10aS,10bS)-8-hydroxy-8a-isopropyl-10b-methyl-2,5,5b,6,6a,8,8a,9a,9b,10b-decahydrotris(oxireno)[2',3':4b,5;2'',3'':6,7;2''',3''':8a,9]phenanthro[1,2-c]furan-3(1H)-one
  • SMR000466307
  • PG 490
  • KBio2_005451
  • Trisoxireno(4b,5:6,7:8a,9)phenanthro(1,2-c)furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-
  • KBioSS_000315
  • BSPBio_001595
  • C09204

MDL Number

MFCD00210565

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