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Adenostemmoic acid C

CAT: 0931-TN5619Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN5619Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
130217-18-4
Bioactivity
Adenostemmoic acid C is a natural product for research related to life sciences. The catalog number is TN5619 and the CAS number is 130217-18-4.
Smiles
[H][C@]12C[C@@]3(CC[C@]4([H])[C@@](C)(CCC[C@@]4(C)[C@]3([H])[C@@H](O)C1)C(O)=O)[C@H](O)[C@@]2(O)CO
Molecular Formula
C20H32O6
Molecular Weight
368.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Adenostemmoic acid C

Adenostemmoic acid C has been reported in Adenostemma lavenia and Adenostemma viscosum with data available.

CAS Number130217-18-4
PubChem CID23260137
IUPAC Name(1R,4S,5R,9R,10S,11S,13S,14S,15S)-11,14,15-trihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Molecular FormulaC20H32O6
Molecular Weight368.5
XLogP1.6
Topological Polar Surface Area118
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity623
SMILES
C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2[C@H](C[C@H](C3)[C@@]([C@H]4O)(CO)O)O)(C)C(=O)O
InChI
InChI=1S/C20H32O6/c1-17-5-3-6-18(2,16(24)25)13(17)4-7-19-9-11(8-12(22)14(17)19)20(26,10-21)15(19)23/h11-15,21-23,26H,3-10H2,1-2H3,(H,24,25)/t11-,12+,13+,14+,15+,17-,18-,19-,20-/m1/s1
InChIKey
RHWBQGFFSHIXKI-HSJBFBDPSA-N
Chemical Structure
2D Structure
2D structure of Adenostemmoic acid C
CAS: 130217-18-4
CID: 23260137
Formula: C20H32O6
MW: 368.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.5
XLogP31.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass368.21988874
Monoisotopic Mass368.21988874
Topological Polar Surface Area118 Ų
Heavy Atom Count26
Formal Charge0
Complexity623
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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