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Tylogenin

CAT: 0013-GTR19208493-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208493-01Size:25 mg
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Description
Tylogenin
CAS Number
135247-46-0
Smiles
C[C@]12[C@@] ([C@@H] (OC (C) =O) C[C@@]3 ([C@@]1 (CC[C@@] (C) ([C@@H]3OC (C) =O) C=4[C@@] (OC) (C) OC (=O) C4) [H]) [H]) ([C@@H] (OC (C) =O) C (=O) CC2) [H]
Molecular Formula
C28H38O10
Molecular Weight
534.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tylogenin

a degraded steroid with reconfigured D ring forming a pyran; sapogenin of acetyltylophoroside

CAS Number135247-46-0
PubChem CID3086642
IUPAC Name[(1R,2R,4bR,8R,9S)-1,8-diacetyloxy-2-[(2R)-2-methoxy-2-methyl-5-oxofuran-3-yl]-2,4b-dimethyl-7-oxo-3,4,4a,5,6,8,8a,9,10,10a-decahydro-1H-phenanthren-9-yl] acetate
Molecular FormulaC28H38O10
Molecular Weight534.6
XLogP2.5
Topological Polar Surface Area132
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity1080
SMILES
CC(=O)O[C@H]1CC2[C@H]([C@@](CCC2[C@@]3(C1[C@H](C(=O)CC3)OC(=O)C)C)(C)C4=CC(=O)O[C@@]4(C)OC)OC(=O)C
InChI
InChI=1S/C28H38O10/c1-14(29)35-20-12-17-18(26(4)11-9-19(32)24(23(20)26)36-15(2)30)8-10-27(5,25(17)37-16(3)31)21-13-22(33)38-28(21,6)34-7/h13,17-18,20,23-25H,8-12H2,1-7H3/t17?,18?,20-,23?,24-,25+,26+,27+,28+/m0/s1
InChIKey
RTKXYQUBRFXSOY-RCJOAVMUSA-N
Chemical Structure
2D Structure
2D structure of Tylogenin
CAS: 135247-46-0
CID: 3086642
Formula: C28H38O10
MW: 534.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight534.6
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass534.24649740
Monoisotopic Mass534.24649740
Topological Polar Surface Area132 Ų
Heavy Atom Count38
Formal Charge0
Complexity1080
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T70904-01Tylogenin

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