Products for Research Use Only

Terrestrosin F

CAT: 0013-GTR19266036-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19266036-01Size:1 mg
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Description
Terrestrosin F is a natural product used in biochemical experiments and drug synthesis research.
CAS Number
193604-54-5
Purity
98.39% (May vary between batches)
Smiles
C[C@@]12[C@] ([C@]3 ([C@] (CC1) ([C@]4 (C) [C@@] (CC3) (C[C@@H] (O[C@@H]5O[C@H] (CO) [C@H] (O[C@@H]6O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]6O) [C@H] (O) [C@H]5O) [C@H] (O) C4) [H]) [H]) [H]) (C[C@]7 ([C@@]2 ([C@H] (C) [C@] (CC[C@H] (CO[C@@H]8O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]8O) C) (O) O7) [H]) [H]) [H]
Molecular Formula
C45H76O20
Molecular Weight
937.07
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Terrestrosin F

Terrestrosin F has been reported in Tribulus terrestris with data available.

CAS Number193604-54-5
PubChem CID101707499
IUPAC Name(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4S,6R,7S,8R,9S,12S,13S,15R,16R,18S)-16-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6,15-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC45H76O20
Molecular Weight937.1
XLogP-0.8
Topological Polar Surface Area328
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count20
Rotatable Bond Count13
Heavy Atom Count65
Formal Charge0
Complexity1600
SMILES
C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O
InChI
InChI=1S/C45H76O20/c1-18(17-59-40-36(55)33(52)31(50)27(14-46)61-40)7-10-45(58)19(2)30-26(65-45)12-23-21-6-5-20-11-25(24(49)13-44(20,4)22(21)8-9-43(23,30)3)60-41-38(57)35(54)39(29(16-48)63-41)64-42-37(56)34(53)32(51)28(15-47)62-42/h18-42,46-58H,5-17H2,1-4H3/t18-,19+,20+,21-,22+,23+,24-,25-,26+,27-,28-,29-,30+,31-,32-,33+,34+,35-,36-,37-,38-,39+,40-,41-,42+,43+,44+,45-/m1/s1
InChIKey
NNDVPYHJIYTUGX-VUKFLBBKSA-N
Chemical Structure
2D Structure
2D structure of Terrestrosin F
CAS: 193604-54-5
CID: 101707499
Formula: C45H76O20
MW: 937.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight937.1
XLogP3-0.8
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count20
Rotatable Bond Count13
Exact Mass936.49299481
Monoisotopic Mass936.49299481
Topological Polar Surface Area328 Ų
Heavy Atom Count65
Formal Charge0
Complexity1600
Isotope Atom Count0
Defined Atom Stereocenter Count28
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes