Cannabisin B

Catalog Number	ACM144506172
CAS Number	144506-17-2
IUPAC Name	(1S,2R)-1-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-1,2-dihydronaphthalene-2,3-dicarboxamide
Molecular Weight	594.65
Molecular Formula	C34H32N2O8
Canonical SMILES	C1=CC(=CC=C1CCNC(=O)C2C(C3=CC(=C(C=C3C=C2C(=O)NCCC4=CC=C(C=C4)O)O)O)C5=CC(=C(C=C5)O)O)O
InChI	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
InChI Key	XENYXHLAFMZULS-ACHIHNKUSA-N
Purity	98%+
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	992
Exact Mass	596.21586598
Heavy Atom Count	44
Isomeric SMILES	C1=CC(=CC=C1CCNC(=O)[C@@H]2[C@H](C3=CC(=C(C=C3C=C2C(=O)NCCC4=CC=C(C=C4)O)O)O)C5=CC(=C(C=C5)O)O)O
Monoisotopic Mass	596.21586598
Topological Polar Surface Area	180Ų

Custom Q&A

What is the predicted pka value of Cannabisin B?

The predicted pka value of Cannabisin B is 9.32±0.60.

What are the synonyms of Cannabisin B?

The synonyms of Cannabisin B are 2,3-Naphthalenedicarboxamide, 1-(3,4-dihydroxyphenyl)-1,2-dihydro-6,7-dihydroxy-N2,N3-bis[2-(4-hydroxyphenyl)ethyl]-, (1R,2S)-rel- and Pulegone Impurity 5.

What is the CAS number of Cannabisin B?

The CAS number of Cannabisin B is 144506-17-2.

What is the molecular formula of Cannabisin B?

The molecular formula of Cannabisin B is C34H32N2O8.

What is the molecular weight of Cannabisin B?

The molecular weight of Cannabisin B is 596.63.

What is the predicted boiling point of Cannabisin B?

The predicted boiling point of Cannabisin B is 1016.3±65.0 °C.

What is the predicted density of Cannabisin B?

The predicted density of Cannabisin B is 1.431±0.06 g/cm3.

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