Cannabisin H

CAT: 0931-TN6588Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-TN6588Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

403647-08-5

Bioactivity

Cannabisin H is a natural product for research related to life sciences. The catalog number is TN6588 and the CAS number is 403647-08-5.

Smiles

O([C@H]([C@@H](O)C1=CC(OC)=C(O)C=C1)CO)C2=C(OC)C=C(/C=C/C(NCCC3=CC=C(O)C=C3)=O)C=C2

Molecular Formula

C28H31NO8

Molecular Weight

509.55

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Erythro-canabisine H

Cannabisin H has been reported in Hibiscus with data available.

CAS Number	403647-08-5
PubChem CID	636543
IUPAC Name	(E)-3-[4-[(1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
Molecular Formula	C28H31NO8
Molecular Weight	509.5
XLogP	2.3
Topological Polar Surface Area	138
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	12
Heavy Atom Count	37
Formal Charge	0
Complexity	698

SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CC=C(C=C2)O)O[C@@H](CO)[C@H](C3=CC(=C(C=C3)O)OC)O

InChI

InChI=1S/C28H31NO8/c1-35-24-16-20(7-10-22(24)32)28(34)26(17-30)37-23-11-5-19(15-25(23)36-2)6-12-27(33)29-14-13-18-3-8-21(31)9-4-18/h3-12,15-16,26,28,30-32,34H,13-14,17H2,1-2H3,(H,29,33)/b12-6+/t26-,28-/m0/s1

InChIKey

PJAFJMNWVUKNOR-MGBVTPAKSA-N

Chemical Structure

2D Structure

CAS: 403647-08-5

CID: 636543

Formula: C28H31NO8

MW: 509.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	509.5
XLogP3	2.3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	12
Exact Mass	509.20496695
Monoisotopic Mass	509.20496695
Topological Polar Surface Area	138 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	698
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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