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Details

Stereochemistry RACEMIC
Molecular Formula C34H32N2O8
Molecular Weight 596.6265
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CANNABISIN-B

SMILES

OC1=CC=C(CCNC(=O)[C@@H]2[C@@H](C3=CC(O)=C(O)C=C3)C4=C(C=C(O)C(O)=C4)C=C2C(=O)NCCC5=CC=C(O)C=C5)C=C1

InChI

InChIKey=XENYXHLAFMZULS-ACHIHNKUSA-N
InChI=1S/C34H32N2O8/c37-23-6-1-19(2-7-23)11-13-35-33(43)26-15-22-17-29(41)30(42)18-25(22)31(21-5-10-27(39)28(40)16-21)32(26)34(44)36-14-12-20-3-8-24(38)9-4-20/h1-10,15-18,31-32,37-42H,11-14H2,(H,35,43)(H,36,44)/t31-,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula C34H32N2O8
Molecular Weight 596.6265
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:47:26 UTC 2023
Edited
by admin
on Sat Dec 16 10:47:26 UTC 2023
Record UNII
MBD34RU9GR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CANNABISIN-B
Common Name English
2,3-NAPHTHALENEDICARBOXAMIDE, 1-(3,4-DIHYDROXYPHENYL)-1,2-DIHYDRO-6,7-DIHYDROXY-N,N'-BIS(2-(4-HYDROXYPHENYL)ETHYL)-, TRANS-(±)-
Systematic Name English
2,3-NAPHTHALENEDICARBOXAMIDE, 1-(3,4-DIHYDROXYPHENYL)-1,2-DIHYDRO-6,7-DIHYDROXY-N,N'-BIS(2-(4-HYDROXYPHENYL)ETHYL)-, (1R,2S)-REL-
Systematic Name English
REL-(1R,2S)-1-(3,4-DIHYDROXYPHENYL)-1,2-DIHYDRO-6,7-DIHYDROXY-N2,N3-BIS(2-(4-HYDROXYPHENYL)ETHYL)-2,3-NAPHTHALENEDICARBOXAMIDE
Systematic Name English
2,3-NAPHTHALENEDICARBOXAMIDE, 1-(3,4-DIHYDROXYPHENYL)-1,2-DIHYDRO-6,7-DIHYDROXY-N2,N3-BIS(2-(4-HYDROXYPHENYL)ETHYL)-, (1R,2S)-REL-
Systematic Name English
Code System Code Type Description
FDA UNII
MBD34RU9GR
Created by admin on Sat Dec 16 10:47:26 UTC 2023 , Edited by admin on Sat Dec 16 10:47:26 UTC 2023
PRIMARY
PUBCHEM
71448963
Created by admin on Sat Dec 16 10:47:26 UTC 2023 , Edited by admin on Sat Dec 16 10:47:26 UTC 2023
PRIMARY
CAS
144506-17-2
Created by admin on Sat Dec 16 10:47:26 UTC 2023 , Edited by admin on Sat Dec 16 10:47:26 UTC 2023
PRIMARY
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