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Pulchinenoside E4

CAT: 0931-TN7774-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7774-03Size:10 mg
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CAS Number
1415553-83-1
Target
Others
Related Pathways
Others
Bioactivity
Pulchinenoside E4 is a oleanane-type triterpene saponin isolated from Pulsatilla chinensis, exhibiting cytotoxic properties.
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C[C@]12C([C@]3([C@@](C(O)=O)(CC1)CCC(C)(C)C3)[H])=CC[C@]4([C@@]2(C)CC[C@@]5([C@]4(C)CC[C@H](O[C@H]6[C@H](O[C@H]7[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@H](CO[C@H]%10[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O%10)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](C)O7)[C@@H](O)[C@@H](O)CO6)C5(C)C)[H])[H]
Molecular Formula
C59H96O25
Molecular Weight
1205.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pulchinenoside E4
CAS Number1415553-83-1
PubChem CID162862471
IUPAC Name(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular FormulaC59H96O25
Molecular Weight1205.4
XLogP-0.5
Topological Polar Surface Area393
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count25
Rotatable Bond Count13
Heavy Atom Count84
Formal Charge0
Complexity2350
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H]([C@@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H]([C@H](CO[C@H]5O[C@H]6CC[C@]7([C@H](C6(C)C)CC[C@@]8([C@@H]7CC=C9[C@]8(CC[C@@]1([C@H]9CC(CC1)(C)C)C(=O)O)C)C)C)O)O)C)O)CO)O)O)O)O)O)O
InChI
InChI=1S/C59H96O25/c1-24-34(62)38(66)41(69)48(77-24)76-23-30-37(65)39(67)42(70)49(80-30)82-45-29(21-60)79-50(43(71)40(45)68)83-46-35(63)25(2)78-51(44(46)72)84-47-36(64)28(61)22-75-52(47)81-33-13-14-56(7)31(55(33,5)6)12-15-58(9)32(56)11-10-26-27-20-54(3,4)16-18-59(27,53(73)74)19-17-57(26,58)8/h10,24-25,27-52,60-72H,11-23H2,1-9H3,(H,73,74)/t24-,25-,27-,28-,29+,30+,31-,32+,33-,34-,35-,36-,37+,38+,39-,40+,41+,42+,43+,44+,45+,46+,47+,48+,49-,50-,51-,52-,56-,57+,58+,59-/m0/s1
InChIKey
QZULGCOOYJBDJZ-IPRQEDPYSA-N
Chemical Structure
2D Structure
2D structure of Pulchinenoside E4
CAS: 1415553-83-1
CID: 162862471
Formula: C59H96O25
MW: 1205.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1205.4
XLogP3-0.5
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count25
Rotatable Bond Count13
Exact Mass1204.62406854
Monoisotopic Mass1204.62406854
Topological Polar Surface Area393 Ų
Heavy Atom Count84
Formal Charge0
Complexity2350
Isotope Atom Count0
Defined Atom Stereocenter Count32
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19170660-01Pulchinenoside A
TB0838Pulchinenoside B
HY-N12584Pulchinenoside E4
AB2015Pulchinenoside A3
574309Pulchinenoside B4
MBS5760830Pulchinenoside E
GTR19180727-01Pulchinenoside E2
GTR19266030-01Pulchinenoside J
M38951-01Pulchinenoside E3
463217Pulchinenoside C

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