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3α-Hydroxymogrol

CAT: 0931-T10105-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T10105-03Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1343402-73-2
Target
AMPK
Related Pathways
PI3K/Akt/mTOR signaling, Chromatin/Epigenetic
Bioactivity
3α-Hydroxymogrol is a triterpenoid isolated from Siraitia grosvenorii Swingle, acting as a potent activator of AMPK and enhancing AMPK phosphorylation.
Smiles
[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC=C4[C@@]([H])(CC[C@@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C)[C@H](C)CC[C@@H](O)C(C)(C)O
Molecular Formula
C30H52O4
Molecular Weight
476.73
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3Alpha-Hydroxymogrol
CAS Number1343402-73-2
PubChem CID54597624
IUPAC Name(3R,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-diol
Molecular FormulaC30H52O4
Molecular Weight476.7
XLogP5.4
Topological Polar Surface Area80.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity817
SMILES
C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(C[C@H]([C@@]3([C@H]2CC=C4[C@H]3CC[C@H](C4(C)C)O)C)O)C)C
InChI
InChI=1S/C30H52O4/c1-18(9-13-24(32)27(4,5)34)19-15-16-28(6)22-12-10-20-21(11-14-23(31)26(20,2)3)30(22,8)25(33)17-29(19,28)7/h10,18-19,21-25,31-34H,9,11-17H2,1-8H3/t18-,19-,21-,22+,23-,24-,25-,28+,29-,30+/m1/s1
InChIKey
JLYBBRAAICDTIS-HYBNOKSXSA-N
Chemical Structure
2D Structure
2D structure of 3Alpha-Hydroxymogrol
CAS: 1343402-73-2
CID: 54597624
Formula: C30H52O4
MW: 476.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.7
XLogP35.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass476.38656014
Monoisotopic Mass476.38656014
Topological Polar Surface Area80.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity817
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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