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Imperialine 3-β-D-glucoside

CAT: 0931-TN2213-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN2213-01Size:1 mg
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CAS Number
67968-40-5
Target
Others
Related Pathways
Others
Purity
0.999
Bioactivity
Imperialine 3-β-D-glucoside (Sipeimine-3-beta-D-glucoside) is a natural product. Imperialine 3-β-D-glucoside may exhibit anti-tumor properties against multi-drug resistant tumor cells.
Smiles
[H][C@@]12C[C@@]3([H])[C@@]([H])(CC(=O)[C@@]4([H])C[C@H](CC[C@]34C)O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]1([H])CC[C@]1([H])[C@@]2([H])CN2C[C@@H](C)CC[C@@]2([H])[C@@]1(C)O
Molecular Formula
C33H53NO8
Molecular Weight
591.78
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hupehemonoside

20-Hydroxy-6-oxocevan-3-yl hexopyranoside has been reported in Fritillaria eduardii with data available.

CAS Number67968-40-5
PubChem CID132538
IUPAC Name(1R,2S,6S,9S,10S,11R,14S,15S,18S,20S,23R,24S)-10-hydroxy-6,10,23-trimethyl-20-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
Molecular FormulaC33H53NO8
Molecular Weight591.8
XLogP2.3
Topological Polar Surface Area140
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count42
Formal Charge0
Complexity1040
SMILES
C[C@H]1CC[C@H]2[C@@]([C@@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)(C)O
InChI
InChI=1S/C33H53NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-24,26-31,35,37-40H,4-15H2,1-3H3/t16-,17-,18+,19+,20-,21-,22+,23-,24+,26+,27-,28+,29-,30+,31+,32+,33-/m0/s1
InChIKey
DHQFYEJMFMYGCV-DLJWJMOOSA-N
Chemical Structure
2D Structure
2D structure of Hupehemonoside
CAS: 67968-40-5
CID: 132538
Formula: C33H53NO8
MW: 591.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight591.8
XLogP32.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass591.37711765
Monoisotopic Mass591.37711765
Topological Polar Surface Area140 Ų
Heavy Atom Count42
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count17
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
GTR19155056-01Imperialine 3-β-D-glucoside
BUP03018-01Imperialine 3-ß-D-glucoside
TRC-I492505-10MGImperialine 3-beta-D-Glucoside
DGA72048-013-Beta-chloro-imperialine
452280-01Imperialine
007914-01Delphinidin 3-β-D-Glucoside
GTR19233681-01Deoxynivalenol-3-β-D-glucoside
M21498-01Sipeimine-3β-D-glucoside
AR-D01385-01Delphinidin 3-D-Glucoside
sc-229029Quercetin 3-β-D-glucoside

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