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Saudin

CAT: 0931-T34537-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T34537-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
94978-16-2
Target
Others
Related Pathways
Others
Bioactivity
Saudin is a naturally occurring hypoglycemic diterpene.
Smiles
[H][C@@]12C[C@@]3(O[C@@]45COC(=O)[C@]4(C)CC[C@@](OC(=O)[C@H]1C)(O3)[C@@]25C)c1ccoc1
Molecular Formula
C20H22O7
Molecular Weight
374.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(3aR,5S,6aR,7S,9aS,9bS,11aR)-5-(3-Furanyl)hexahydro-7,9b,11a-trimethyl-5,9a-epoxy-3H,9aH-furo(3,4-f)pyrano(4,3,2-de)(1)benzopyran-1,8(7H,10H)-dione

structure in first source

CAS Number94978-16-2
PubChem CID24837775
IUPAC Name(1R,3S,5R,6S,9S,12R,16S)-3-(furan-3-yl)-6,12,16-trimethyl-2,8,14,17-tetraoxapentacyclo[7.6.1.13,9.01,12.05,16]heptadecane-7,13-dione
Molecular FormulaC20H22O7
Molecular Weight374.4
XLogP1.8
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count27
Formal Charge0
Complexity767
SMILES
C[C@H]1[C@H]2C[C@]3(O[C@]4([C@@]2([C@]5(O3)COC(=O)[C@@]5(CC4)C)C)OC1=O)C6=COC=C6
InChI
InChI=1S/C20H22O7/c1-11-13-8-18(12-4-7-23-9-12)26-19-10-24-15(22)16(19,2)5-6-20(27-18,17(13,19)3)25-14(11)21/h4,7,9,11,13H,5-6,8,10H2,1-3H3/t11-,13+,16-,17-,18-,19-,20+/m0/s1
InChIKey
MIZCOUBLUGPQEO-TWLIFTOHSA-N
Chemical Structure
2D Structure
2D structure of (3aR,5S,6aR,7S,9aS,9bS,11aR)-5-(3-Furanyl)hexahydro-7,9b,11a-trimethyl-5,9a-epoxy-3H,9aH-furo(3,4-f)pyrano(4,3,2-de)(1)benzopyran-1,8(7H,10H)-dione
CAS: 94978-16-2
CID: 24837775
Formula: C20H22O7
MW: 374.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.4
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass374.13655304
Monoisotopic Mass374.13655304
Topological Polar Surface Area84.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity767
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N7241Saudin

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