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Cycloastragenol

CAT: 0572-TRC-C987810-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C987810-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
84605-18-5
Synonyms
Cyclogalagenin; Cyclogalegenin; Cyclogalegigenin; Cycloastragenol
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
CC(C)(O)[C@H]1CC[C@@](C)(O1)[C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C
Molecular Formula
C30 H50 O5
Molecular Weight
490.72
InChI
InChI=1S/C30H50O5/c1-24(2)20(33)8-11-30-16-29(30)13-12-26(5)23(28(7)10-9-21(35-28)25(3,4)34)18(32)15-27(26,6)19(29)14-17(31)22(24)30/h17-23,31-34H,8-16H2,1-7H3/t17-,18-,19-,20-,21+,22-,23-,26+,27-,28+,29-,30+/m0/s1
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Cyclogalegenin

Cyclogalegigenin has been reported in Astragalus onobrychis with data available.

CAS Number84605-18-5
PubChem CID13943287
IUPAC Name(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol
Molecular FormulaC30H50O5
Molecular Weight490.7
XLogP4.4
Topological Polar Surface Area90.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count35
Formal Charge0
Complexity916
SMILES
C[C@]12CC[C@@]34C[C@@]35CC[C@@H](C([C@@H]5[C@H](C[C@H]4[C@@]1(C[C@@H]([C@@H]2[C@@]6(CC[C@@H](O6)C(C)(C)O)C)O)C)O)(C)C)O
InChI
InChI=1S/C30H50O5/c1-24(2)20(33)8-11-30-16-29(30)13-12-26(5)23(28(7)10-9-21(35-28)25(3,4)34)18(32)15-27(26,6)19(29)14-17(31)22(24)30/h17-23,31-34H,8-16H2,1-7H3/t17-,18-,19-,20-,21+,22-,23-,26+,27-,28-,29-,30+/m0/s1
InChIKey
WENNXORDXYGDTP-ODAITAILSA-N
Chemical Structure
2D Structure
2D structure of Cyclogalegenin
CAS: 84605-18-5
CID: 13943287
Formula: C30H50O5
MW: 490.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight490.7
XLogP34.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass490.36582469
Monoisotopic Mass490.36582469
Topological Polar Surface Area90.2 Ų
Heavy Atom Count35
Formal Charge0
Complexity916
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FC11092-01Cycloastragenol

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