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Mogroside VI B

CAT: 0804-HY-N7439-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N7439-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Mogroside VI B, a cucurbitane glucoside, separated from the crude extract of Siraitia grosvenorii. Mogroside VI B shows effect on activating PGC-1α transcription[1].
CAS Number
2149606-17-5
UNSPSC
12352005
Target
PGC-1α
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/mogroside-vi-b.html
Purity
98.97
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
C[C@@]1([C@@H](C2)O)[C@](CC=C(C(C)3C)[C@@]1([H])CC[C@@H]3O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]([C@H]4O)CO[C@@H]([C@@H]([C@H]5O)O)O[C@@H]([C@H]5O)CO)([H])[C@@]([C@@]62C)(CC[C@]6([H])[C@H](C)CC[C@H](C(C)(O)C)O[C@H](O[C@@H]7CO[C@@H]([C@@H]([C@H]8O)O)O[C@@H]([C@H]8O)CO)[C@@H]([C@H]([C@@H]7O)O)O[C@H](O[C@@H]9CO)[C@@H]([C@H]([C@@H]9O)O)O[C@@H]([C@@H]([C@H]%10O)O)O[C@@H]([C@H]%10O)CO)C
Molecular Formula
C66H112O34
Molecular Weight
1449.58
References & Citations
[1]Niu B, et al. Cucurbitane Glucosides from the Crude Extract of Siraitia grosvenorii with Moderate Effects on PGC-1α Promoter Activity. J Nat Prod. 2017;80 (5) :1428‐1435.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Mogroside VI B
CAS Number2149606-17-5
PubChem CID146673138
IUPAC Name(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-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]-11-hydroxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC66H112O34
Molecular Weight1449.6
XLogP-5.3
Topological Polar Surface Area556
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count34
Rotatable Bond Count23
Heavy Atom Count100
Formal Charge0
Complexity2690
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]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[C@H]5CC[C@@]6([C@@]5(C[C@H]([C@@]7([C@H]6CC=C8[C@H]7CC[C@@H](C8(C)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)C)O)C)C
InChI
InChI=1S/C66H112O34/c1-24(25-15-16-64(6)34-12-10-26-27(66(34,8)35(71)17-65(25,64)7)11-14-36(62(26,2)3)97-58-52(86)47(81)42(76)32(95-58)22-89-56-50(84)44(78)38(72)28(18-67)91-56)9-13-37(63(4,5)88)98-60-54(49(83)43(77)33(96-60)23-90-57-51(85)45(79)39(73)29(19-68)92-57)100-61-55(48(82)41(75)31(21-70)94-61)99-59-53(87)46(80)40(74)30(20-69)93-59/h10,24-25,27-61,67-88H,9,11-23H2,1-8H3/t24-,25-,27-,28-,29-,30-,31-,32-,33-,34+,35-,36+,37-,38-,39-,40-,41-,42-,43-,44+,45+,46+,47+,48+,49+,50-,51-,52-,53-,54-,55-,56-,57-,58+,59+,60+,61+,64+,65-,66+/m1/s1
InChIKey
PVDOAQQONXZZBU-ISABJOOBSA-N
Chemical Structure
2D Structure
2D structure of Mogroside VI B
CAS: 2149606-17-5
CID: 146673138
Formula: C66H112O34
MW: 1449.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1449.6
XLogP3-5.3
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count34
Rotatable Bond Count23
Exact Mass1448.7035006
Monoisotopic Mass1448.7035006
Topological Polar Surface Area556 Ų
Heavy Atom Count100
Formal Charge0
Complexity2690
Isotope Atom Count0
Defined Atom Stereocenter Count40
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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