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Tenacissoside G 5mg

CAT: 0628-A14645-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A14645-5Size:5 mg
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CAS Number
191729-43-8

Chemical Information

Tenacissimoside A

Tenacissoside G has been reported in Marsdenia tenacissima with data available.

CAS Number191729-43-8
PubChem CID44561398
IUPAC Name[(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-8-acetyloxy-14-[(2R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-9-yl] (E)-2-methylbut-2-enoate
Molecular FormulaC42H64O14
Molecular Weight792.9
XLogP3.1
Topological Polar Surface Area178
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count12
Heavy Atom Count56
Formal Charge0
Complexity1550
SMILES
C/C=C(\C)/C(=O)O[C@H]1[C@@H]2[C@]3(CC[C@@H](C[C@@H]3CC[C@@]24[C@@]5(O4)CC[C@H]([C@]5([C@@H]1OC(=O)C)C)C(=O)C)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O[C@H]7[C@@H]([C@@H]([C@@H]([C@H](O7)C)O)OC)O)OC)C
InChI
InChI=1S/C42H64O14/c1-11-20(2)37(47)54-34-35-39(7)15-13-26(53-29-19-28(48-9)32(23(5)50-29)55-38-31(46)33(49-10)30(45)22(4)51-38)18-25(39)12-16-41(35)42(56-41)17-14-27(21(3)43)40(42,8)36(34)52-24(6)44/h11,22-23,25-36,38,45-46H,12-19H2,1-10H3/b20-11+/t22-,23-,25+,26+,27+,28-,29+,30-,31-,32-,33-,34+,35-,36-,38+,39+,40+,41+,42-/m1/s1
InChIKey
OHDJGUWKOIBIKY-SGFNNURDSA-N
Chemical Structure
2D Structure
2D structure of Tenacissimoside A
CAS: 191729-43-8
CID: 44561398
Formula: C42H64O14
MW: 792.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight792.9
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count12
Exact Mass792.42960671
Monoisotopic Mass792.42960671
Topological Polar Surface Area178 Ų
Heavy Atom Count56
Formal Charge0
Complexity1550
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TN8089-01Tenacissoside A
TN8122-01Tenacissoside D
HY-N2102-01Tenacissoside I
TN2369Tenacissoside X
TBW00462Tenacissoside F
BUP00084-01Tenacissoside H
N2128-20Tenacissoside G
HY-N13123Tenacissoside C
TN8107-01Tenacissoside B

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