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Terrestrosin D

CAT: 0013-GTR19171180-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171180-02Size:5 mg
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Description
Terrestrosin D
CAS Number
179464-23-4
Product Name Alternative
Apoptosis, inhibit, Inhibitor, Terrestrosin D
Field of Research
Cell Biology
Purity
99.54% (May vary between batches)
Solubility
DMSO:30 mg/mL (28.59 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (1.91 mM)
Smiles
[H][C@]12C[C@@]3 ([H]) [C@]4 ([H]) CC[C@@]5 ([H]) C[C@H] (CC[C@]5 (C) [C@@]4 ([H]) CC (=O) [C@]3 (C) [C@@]1 ([H]) [C@H] (C) [C@@]1 (CC[C@@H] (C) CO1) O2) O[C@]1 ([H]) O[C@H] (CO) [C@H] (O[C@]2 ([H]) O[C@H] (CO) [C@@H] (O) [C@H] (O[C@]3 ([H]) OC[C@@H] (O) [C@H] (O) [C@H]3O) [C@H]2O[C@]2 ([H]) O[C@H] (CO) [C@H] (O) [C@H] (O) [C@H]2O) [C@H] (O) [C@H]1O
Molecular Formula
C50H80O23
Molecular Weight
1049.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Terrestrosin D

Terrestrosin D is a steroid saponin.

CAS Number179464-23-4
PubChem CID101995328
IUPAC Name(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
Molecular FormulaC50H80O23
Molecular Weight1049.2
XLogP-2
Topological Polar Surface Area352
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count23
Rotatable Bond Count11
Heavy Atom Count73
Formal Charge0
Complexity1920
SMILES
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C(=O)C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)C)C)C)OC1
InChI
InChI=1S/C50H80O23/c1-19-7-10-50(65-17-19)20(2)32-27(73-50)12-25-23-6-5-21-11-22(8-9-48(21,3)24(23)13-31(55)49(25,32)4)66-45-40(63)37(60)41(30(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)28(14-51)67-46)42(35(58)29(15-52)68-47)71-44-38(61)33(56)26(54)18-64-44/h19-30,32-47,51-54,56-63H,5-18H2,1-4H3/t19-,20+,21+,22+,23-,24+,25+,26-,27+,28-,29-,30-,32+,33+,34+,35-,36+,37-,38-,39-,40-,41+,42+,43-,44+,45-,46+,47+,48+,49-,50-/m1/s1
InChIKey
IXUNZKARBRITGN-WDJYAXNWSA-N
Chemical Structure
2D Structure
2D structure of Terrestrosin D
CAS: 179464-23-4
CID: 101995328
Formula: C50H80O23
MW: 1049.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1049.2
XLogP3-2
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count23
Rotatable Bond Count11
Exact Mass1048.50903879
Monoisotopic Mass1048.50903879
Topological Polar Surface Area352 Ų
Heavy Atom Count73
Formal Charge0
Complexity1920
Isotope Atom Count0
Defined Atom Stereocenter Count31
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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