What is the molecular formula of pectolinarin?

The molecular formula of pectolinarin is C29H34O15.

What is the molecular weight of pectolinarin?

The molecular weight of pectolinarin is 622.6 g/mol.

What is the IUPAC name of pectolinarin?

The IUPAC name of pectolinarin is 5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one.

What is the InChI of pectolinarin?

The InChI of pectolinarin is InChI=1S/C29H34O15/c1-11-20(31)23(34)25(36)28(41-11)40-10-18-21(32)24(35)26(37)29(44-18)43-17-9-16-19(22(33)27(17)39-3)14(30)8-15(42-16)12-4-6-13(38-2)7-5-12/h4-9,11,18,20-21,23-26,28-29,31-37H,10H2,1-3H3/t11-,18+,20-,21+,23+,24-,25+,26+,28+,29+/m0/s1.

What is the InChIKey of pectolinarin?

The InChIKey of pectolinarin is DUXQKCCELUKXOE-CBBZIXHGSA-N.

What is the canonical SMILES of pectolinarin?

The canonical SMILES of pectolinarin is CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)OC)O)O)O)O)O)O.

What is the CAS number of pectolinarin?

The CAS number of pectolinarin is 28978-02-1.

What is the UNII of pectolinarin?

The UNII of pectolinarin is BY44L9O1RR.

Where is pectolinarin found in nature?

Pectolinarin is found in Kickxia elatine, Scoparia dulcis, and other organisms.

What is the role of pectolinarin?

Pectolinarin has various roles, including being an apoptosis inducer, anti-inflammatory agent, plant metabolite, antineoplastic agent, inhibitor of SARS coronavirus main proteinase (EC 3.4.22.69), and antioxidant.

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Pectolinarin

Pectolinarin

Name: Pectolinarin
SKU: ACM28978021
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Catalog Number	ACM28978021
CAS	28978-02-1
Structure
IUPAC Name	5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Synonyms	Neolinarin; Pectolinaroside; PECTOLINARIN(P); 5-hydroxy-6-methoxy-2-(4-methoxyphenyl); pectolinarigenin 7-O-rutinoside; 5-Hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;
Molecular Weight	622.57
Molecular Formula	C29H34O15
Canonical SMILES	CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)OC)O)O)O)O)O)O
InChIKey	DUXQKCCELUKXOE-CBBZIXHGSA-N
Boiling Point	896.4ºC at 760mmHg
Flash Point	292.4ºC
Purity	98%+
Density	1.61g/cm³
Appearance	light yellow crystalline powder

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