Structure

Neodiosmin

CAS
38665-01-9
Catalog Number
ACM38665019
Category
Main Products
Molecular Weight
608.54
Molecular Formula
C28H32O15

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Specification

Synonyms
DIOSMETIN-7-NEOHESPERIDOSIDE;NEODIOSMIN
IUPAC Name
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
Canonical SMILES
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O
InChI Key
VCCNKWWXYVWTLT-CYZBKYQRSA-N
Exact Mass
608.17400
H-Bond Acceptor
15
H-Bond Donor
8
What is the molecular formula of neodiosmin?

The molecular formula of neodiosmin is C28H32O15.

What are the synonyms for neodiosmin?

The synonyms for neodiosmin are diosmetin-7-O-neohesperidoside and 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside.

What is the molecular weight of neodiosmin?

The molecular weight of neodiosmin is 608.5 g/mol.

When was neodiosmin created and modified?

Neodiosmin was created on 2012-12-01 and modified on 2023-10-21.

Where is neodiosmin found?

Neodiosmin is found in Citrus maxima, a type of citrus fruit.

What is the IUPAC name of neodiosmin?

The IUPAC name of neodiosmin is 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one.

What is the InChI of neodiosmin?

The InChI of neodiosmin is InChI=1S/C28H32O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-8,10,19,21-31,33-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1.

What is the InChIKey of neodiosmin?

The InChIKey of neodiosmin is VCCNKWWXYVWTLT-CYZBKYQRSA-N.

What is the canonical SMILES of neodiosmin?

The canonical SMILES of neodiosmin is CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O.

What is the CAS number of neodiosmin?

The CAS number of neodiosmin is 38665-01-9.

Upstream Synthesis Route 1

  • 13241-33-3
  • 38665-01-9

Reference: [1]Archiv der Pharmazie,1983,vol. 316,p. 219 - 222

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