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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H34O9
Molecular Weight 550.5963
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LAPPAOL B

SMILES

[H][C@]2(CC1=CC=C(OC)C(OC)=C1)COC(=O)[C@]2([H])CC3=CC4=C(O[C@@H]([C@H]4CO)C5=CC(OC)=C(O)C=C5)C(OC)=C3

InChI

InChIKey=KNSPNZVXPUCWMJ-WHNHDLKRSA-N
InChI=1S/C31H34O9/c1-35-25-8-5-17(12-27(25)37-3)9-20-16-39-31(34)21(20)10-18-11-22-23(15-32)29(40-30(22)28(13-18)38-4)19-6-7-24(33)26(14-19)36-2/h5-8,11-14,20-21,23,29,32-33H,9-10,15-16H2,1-4H3/t20-,21+,23-,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H34O9
Molecular Weight 550.5963
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:33:54 GMT 2023
Edited
by admin
on Sat Dec 16 09:33:54 GMT 2023
Record UNII
E9QPE836PM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LAPPAOL B
Common Name English
2(3H)-FURANONE, 3-(((2S,3R)-2,3-DIHYDRO-2-(4-HYDROXY-3-METHOXYPHENYL)-3-(HYDROXYMETHYL)-7-METHOXY-5-BENZOFURANYL)METHYL)-4-((3,4-DIMETHOXYPHENYL)METHYL)DIHYDRO-, (3R,4R)-
Systematic Name English
NSC-287067
Code English
Code System Code Type Description
PUBCHEM
46173977
Created by admin on Sat Dec 16 09:33:54 GMT 2023 , Edited by admin on Sat Dec 16 09:33:54 GMT 2023
PRIMARY
NSC
287067
Created by admin on Sat Dec 16 09:33:54 GMT 2023 , Edited by admin on Sat Dec 16 09:33:54 GMT 2023
PRIMARY
CAS
62359-60-8
Created by admin on Sat Dec 16 09:33:54 GMT 2023 , Edited by admin on Sat Dec 16 09:33:54 GMT 2023
PRIMARY
FDA UNII
E9QPE836PM
Created by admin on Sat Dec 16 09:33:54 GMT 2023 , Edited by admin on Sat Dec 16 09:33:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID70314661
Created by admin on Sat Dec 16 09:33:54 GMT 2023 , Edited by admin on Sat Dec 16 09:33:54 GMT 2023
PRIMARY
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