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82209-74-3

82209-74-3 Structure

82209-74-3 Structure
IdentificationBack Directory
[Name]

19-HYDROXY-8(17),13-LABDADIEN-16,15-OLIDE
[CAS]

82209-74-3
[Synonyms]

15-OLIDE
ANDROGRAPANIN
13-LABDADIEN-16
19-HYDROXY-8(17)
ANDROGRAPANIN(SH)
14-DEOXYANDROGRAPHOLIDE
19-HYDROXY-8(17),13-LABDADIEN-16,15-OLIDE
ent-19-Hydroxy-8(17),13-labdadien-16,15-olide
Inhibitor,chemotaxis,p38 MAPK,leukocyte,SDF-1α,Andrograpanin,PBL,inhibit,Jurkat,anti-inflammatory,THP-1
3-[2-[(1R,4aS,5R,8aS)-Decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-2(5H)-furanone
2(5H)-Furanone, 3-[2-[(1R,4aS,5R,8aS)-decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-
[Molecular Formula]

C20H30O3
[MDL Number]

MFCD07778568
[MOL File]

82209-74-3.mol
[Molecular Weight]

318.45
Chemical PropertiesBack Directory
[Melting point ]

106-107℃
[Boiling point ]

468.7±18.0 °C(Predicted)
[density ]

1.09
[storage temp. ]

4°C, protect from light
[solubility ]

DMSO : 100 mg/mL (314.02 mM; ultrasonic and warming and heat to 60°C)
[form ]

neat
[pka]

14.96±0.10(Predicted)
[color ]

White to off-white
[InChI]

1S/C20H30O3/c1-14-5-8-17-19(2,13-21)10-4-11-20(17,3)16(14)7-6-15-9-12-23-18(15)22/h9,16-17,21H,1,4-8,10-13H2,2-3H3/t16-,17-,19+,20+/m1/s1
[InChIKey]

WKKBRRFSRMDTJB-JYBIWHBTSA-N
[SMILES]

C[C@@]1(CO)CCC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CC[C@H]12
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

14-Deoxyandrographolide is an Ayurvedic herb Kalmegh (Andrographis paniculata) that is used to fight against respiratory viral infections.
Spectrum DetailBack Directory
[Spectrum Detail]

19-HYDROXY-8(17),13-LABDADIEN-16,15-OLIDE(82209-74-3)1HNMR
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