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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H42O12
Molecular Weight 714.7543
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LAPPAOL F

SMILES

[H][C@]4(CC1=CC2=C(O[C@@H]([C@H]2CO)C3=CC(OC)=C(O)C=C3)C(OC)=C1)COC(=O)[C@]4([H])CC5=CC6=C(O[C@@H]([C@H]6CO)C7=CC=C(O)C(OC)=C7)C(OC)=C5

InChI

InChIKey=YXNKOCZXAVTXTG-NYGVLQSXSA-N
InChI=1S/C40H42O12/c1-46-32-15-22(5-7-30(32)43)36-28(17-41)26-11-20(13-34(48-3)38(26)51-36)9-24-19-50-40(45)25(24)10-21-12-27-29(18-42)37(52-39(27)35(14-21)49-4)23-6-8-31(44)33(16-23)47-2/h5-8,11-16,24-25,28-29,36-37,41-44H,9-10,17-19H2,1-4H3/t24-,25+,28-,29-,36+,37+/m0/s1

HIDE SMILES / InChI

Molecular Formula C40H42O12
Molecular Weight 714.7543
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:00:40 UTC 2023
Edited
by admin
on Sat Dec 16 11:00:40 UTC 2023
Record UNII
5CE539C44W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LAPPAOL F
Common Name English
2(3H)-FURANONE, 3,4-BIS(((2S,3R)-2,3-DIHYDRO-2-(4-HYDROXY-3-METHOXYPHENYL)-3-(HYDROXYMETHYL)-7-METHOXY-5-BENZOFURANYL)METHYL)DIHYDRO-, (3R,4R)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID201318593
Created by admin on Sat Dec 16 11:00:40 UTC 2023 , Edited by admin on Sat Dec 16 11:00:40 UTC 2023
PRIMARY
PUBCHEM
73425459
Created by admin on Sat Dec 16 11:00:40 UTC 2023 , Edited by admin on Sat Dec 16 11:00:40 UTC 2023
PRIMARY
CAS
69394-17-8
Created by admin on Sat Dec 16 11:00:40 UTC 2023 , Edited by admin on Sat Dec 16 11:00:40 UTC 2023
PRIMARY
FDA UNII
5CE539C44W
Created by admin on Sat Dec 16 11:00:40 UTC 2023 , Edited by admin on Sat Dec 16 11:00:40 UTC 2023
PRIMARY
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