Cycloneroside C

CAT: 0013-GTR19256346-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19256346-01Size:50 mg

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Description

Cycloneroside C is a novel sesquiterpene aminoglycoside compound discovered in the deep-sea sediment fungus Trichoderma sp. SCSIOW21. This compound exhibits activity in inhibiting NO production, with an IC50 value of 57.1 μM in macrophage RAW 264.7 cell assays. Cycloneroside C can be utilized for research in the field of anti-inflammatory studies.

CAS Number

3075431-06-7

Field of Research

Immunology & Inflammation

Smiles

C[C@]1 (O[C@@H] ([C@@] (C) (C) O) CC1) [C@]2 (C (C) =C (CO[C@@H]3[C@H] (NC (C) =O) [C@@H] (O) [C@H] (O) [C@@H] (CO) O3) CC2) [H]

Molecular Formula

C23H39NO8

Molecular Weight

457.558

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methylcyclopenten-1-yl]methoxy]oxan-3-yl]acetamide

CAS Number	3075431-06-7
PubChem CID	177822899
IUPAC Name	N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methylcyclopenten-1-yl]methoxy]oxan-3-yl]acetamide
Molecular Formula	C23H39NO8
Molecular Weight	457.6
XLogP	-0.9
Topological Polar Surface Area	138
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	32
Formal Charge	0
Complexity	725

SMILES

CC1=C(CC[C@H]1[C@]2(CC[C@@H](O2)C(C)(C)O)C)CO[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C

InChI

InChI=1S/C23H39NO8/c1-12-14(6-7-15(12)23(5)9-8-17(32-23)22(3,4)29)11-30-21-18(24-13(2)26)20(28)19(27)16(10-25)31-21/h15-21,25,27-29H,6-11H2,1-5H3,(H,24,26)/t15-,16-,17-,18-,19-,20-,21+,23-/m1/s1

InChIKey

WOBMHYRIXAUZPG-OGRYDBARSA-N

Chemical Structure

2D Structure

CAS: 3075431-06-7

CID: 177822899

Formula: C23H39NO8

MW: 457.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	457.6
XLogP3	-0.9
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	457.26756720
Monoisotopic Mass	457.26756720
Topological Polar Surface Area	138 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	725
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Cycloneroside C

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