Name: Name:(1S,2S,6S,9R)-9-hydroxy-9-(hydroxymethyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]nona-4,7-diene-5-carboxylic acid
Brand: Angene
SKU: AG00EBH8
Rating: 90 (10 reviews)

(1S,2S,6S,9R)-9-hydroxy-9-(hydroxymethyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]nona-4,7-diene-5-carboxylic acid

CAS No.:

5945-50-6

Catalog Number:

AG00EBH8

Molecular Formula:

Molecular Weight:

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Product Description

Catalog Number:

AG00EBH8

Chemical Name:

(1S,2S,6S,9R)-9-hydroxy-9-(hydroxymethyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]nona-4,7-diene-5-carboxylic acid

CAS Number:

5945-50-6

MDL Number:

MFCD00238650

IUPAC Name:

(1S,4aS,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid

InChI:

InChI=1S/C16H22O11/c17-3-8-10(19)11(20)12(21)15(26-8)27-14-9-6(1-2-16(9,24)5-18)7(4-25-14)13(22)23/h1-2,4,6,8-12,14-15,17-21,24H,3,5H2,(H,22,23)/t6-,8-,9-,10-,11+,12-,14+,15+,16+/m1/s1

InChI Key:

HPWWQPXTUDMRBI-NJPMDSMTSA-N

UNII:

0Y61M84O2T

Properties

Complexity:

634

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

390.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

390.341g/mol

Monoisotopic Mass:

390.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

186A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-3.1

Literature

Title	Journal
Monotropein isolated from the roots of Morinda officinalis ameliorates proinflammatory mediators in RAW 264.7 macrophages and dextran sulfate sodium (DSS)-induced colitis via NF-κB inactivation.	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20130301
[Studies on chemical constituents of in herb Pyrola calliatha].	Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20070901
[Determination of monotropein in Radix Morindae from different processed products by HPLC].	Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20070101
Iridoid glucosides with insecticidal activity from Galium melanantherum.	Zeitschrift fur Naturforschung. C, Journal of biosciences 20070101
Antinociceptive anti-inflammatory effect of Monotropein isolated from the root of Morinda officinalis.	Biological & pharmaceutical bulletin 20051001
Phenolic glycosides from Pyrola japonica.	Chemical & pharmaceutical bulletin 20040601
Hydrophilic carboxylic acids and iridoid glycosides in the juice of American and European cranberries (Vaccinium macrocarpon and V. oxycoccos), lingonberries (V. vitis-idaea), and blueberries (V. myrtillus).	Journal of agricultural and food chemistry 20021106
Sulfur-containing bis-iridoid glucosides and iridoid glucosides from Saprosmas cortechinii.	Journal of natural products 20020501

Properties