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11-oxo-mogroside V

CAT: 0931-T3785-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T3785-01Size:1 mg
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CAS Number
126105-11-1
Target
ROS, Reactive Oxygen Species
Related Pathways
Immunology/Inflammation, Metabolism, NF-κB
Purity
0.9982
Bioactivity
11-oxo-mogroside V (11-oxo Mogroside V) is a sweet tasting cucurbitane glycoside derivative of mogroside V. It has antioxidant effects against both O2- and OH- and prevents OH-induced DNA damage.
Smiles
[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC=C4[C@@]([H])(CC[C@H](O[C@]5([H])O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C)[C@H](C)CC[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O
Molecular Formula
C60H100O29
Molecular Weight
1285.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

11-Oxomogroside V

CGGWHBLPUUKEJC-YMWSYRNLSA-N has been reported in Siraitia siamensis and Siraitia grosvenorii with data available.

CAS Number126105-11-1
PubChem CID122706002
IUPAC Name(3S,8S,9R,10R,13R,14S,17R)-17-[(2R,5R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
Molecular FormulaC60H100O29
Molecular Weight1285.4
XLogP-4
Topological Polar Surface Area474
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count29
Rotatable Bond Count20
Heavy Atom Count89
Formal Charge0
Complexity2410
SMILES
C[C@H](CC[C@H](C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[C@H]4CC[C@@]5([C@@]4(CC(=O)[C@@]6([C@H]5CC=C7[C@H]6CC[C@@H](C7(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)C)C)C
InChI
InChI=1S/C60H100O29/c1-23(9-13-35(57(4,5)79)88-55-50(89-54-49(78)43(72)38(67)29(20-63)84-54)45(74)40(69)31(86-55)22-81-52-47(76)42(71)37(66)28(19-62)83-52)24-15-16-58(6)32-12-10-25-26(60(32,8)33(64)17-59(24,58)7)11-14-34(56(25,2)3)87-53-48(77)44(73)39(68)30(85-53)21-80-51-46(75)41(70)36(65)27(18-61)82-51/h10,23-24,26-32,34-55,61-63,65-79H,9,11-22H2,1-8H3/t23-,24-,26-,27-,28-,29-,30-,31-,32+,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,58+,59-,60+/m1/s1
InChIKey
CGGWHBLPUUKEJC-YMWSYRNLSA-N
Chemical Structure
2D Structure
2D structure of 11-Oxomogroside V
CAS: 126105-11-1
CID: 122706002
Formula: C60H100O29
MW: 1285.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1285.4
XLogP3-4
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count29
Rotatable Bond Count20
Exact Mass1284.63502715
Monoisotopic Mass1284.63502715
Topological Polar Surface Area474 Ų
Heavy Atom Count89
Formal Charge0
Complexity2410
Isotope Atom Count0
Defined Atom Stereocenter Count34
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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