Dehydroandrographolide | CAS No. 134418-28-3

Dehydroandrographolide

Basic Information

CAS Number

134418-28-3

Molecular Formula

C20H28O4

Molecular Weight

332.44 g/mol

AD

Basic Physical Properties

Physical State

White powder

Melting Point

N/A℃

Boiling Point

519.621°C at 760 mmHg

Density

1.2±0.1 g/cm3

Flash Point

177.6±22.2 °C

Refractive Index

1.567

Vapor Pressure

0.0±3.0 mmHg at 25°C

CC12CCC(C(C1CCC(=C)C2CC=C3C=COC3=O)(C)CO)O

InChI

InChI=1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5,9,11,15-17,21-22H,1,4,6-8,10,12H2,2-3H3/b14-5+/t15-,16-,17+,19-,20-/m0/s1

InChIKey

YIIRVUDGRKEWBV-CZUXAOBFSA-N

LogP

3.115400000000002

Topological Polar Surface Area

66.75999999999999 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

605

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 134418-28-3
  • UNII-010E4IV714
  • AKOS030526088
  • HY-N0676
  • CCG-267836
  • s3807
  • AS-57688
  • 010E4IV714
  • 2(3H)-Furanone, 3-(2-((1S,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethylidene)-, (3E)-
  • 14,15-Anhydroandrographolide, (1S)-
  • (3E)-3-[2-[(1S,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]furan-2-one
  • (E)-3-(2-((1S,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethylidene)furan-2(3H)-one
  • CS-3654
  • DTXSID301314463
  • Dehydroandrographolide
  • ANDROGRAPHOLIDE, DEHYDRO-
  • 14-Deoxy-11-dehydroandrographolide
  • Dehydroandrographoline
  • 14-(P)
  • DEOXY-11,12-DIDEHYDROANDROGRAPHOLIDE
  • Dehydroanddrographolide
  • (3E)-3-[2-[(1S,4aS,5R,6R,8aS)-Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]-2(3H)-furanone
  • 2(3H)-Furanone, 3-[2-[(1S,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]-, (3E)-
  • ANDROGRAPHOLIDE, DEHYDRO(RG)
  • Dehydrographkide
  • 6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]-,(3E)
  • ANDROGRAPHOLIDE,DEHYDRO
  • (1R-(1a,2a,4aa,5β(E),8aβ))-3-[2-(Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethylidene)-2(3H)-furanone

MDL Number

MFCD03093712

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