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Pervicoside B

CAT: 0013-GTR19221800-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221800-01Size:100 mg
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Description
Pervicoside B is a natural triterpenoid saponin used as a research biochemical. It serves as a reference standard in phytochemical and pharmacological studies, with investigations into its bioactivity conducted in both cellular (in vitro) and animal (in vivo) experimental models.
CAS Number
96157-95-8
Field of Research
Infectious Disease & Virology
Smiles
[Na].CO[C@H]1[C@H] (O) [C@@H] (CO) O[C@@H] (O[C@H]2[C@H] (O) [C@@H] (CO) O[C@@H] (O[C@@H]3[C@@H] (C) O[C@@H] (O[C@@H]4[C@@H] (O) [C@@H] (CO[C@H]4O[C@H]4CC[C@@]5 (C) [C@@H] (CC[C@@H]6C5=C[C@H] (O) [C@]57[C@H] (CC[C@@]65C) [C@] (C) (CC\C=C (\C) C) OC7=O) C4 (C) C) OS (O) (=O) =O) [C@H] (O) [C@H]3O) [C@@H]2O) [C@@H]1O
Molecular Formula
C54H86NaO25S
Molecular Weight
1190.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pervicoside B
CAS Number96157-95-8
PubChem CID23665003
IUPAC Namesodium [5-[5-[4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-[[10-hydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpent-3-enyl)-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-16-yl]oxy]oxan-3-yl] sulfate
Molecular FormulaC54H85NaO25S
Molecular Weight1189.3
Topological Polar Surface Area386
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count25
Rotatable Bond Count16
Heavy Atom Count81
Formal Charge0
Complexity2390
SMILES
CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)C)CC=C5C4CC(C67C5(CCC6C(OC7=O)(C)CCC=C(C)C)C)O)C)OS(=O)(=O)[O-])O)O)O)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)OC)O)O.[Na+]
InChI
InChI=1S/C54H86O25S.Na/c1-23(2)11-10-16-53(8)31-14-18-52(7)25-12-13-30-50(4,5)33(15-17-51(30,6)26(25)19-32(57)54(31,52)49(65)78-53)74-48-44(36(60)29(22-70-48)79-80(66,67)68)77-45-38(62)37(61)41(24(3)71-45)75-47-40(64)43(35(59)28(21-56)73-47)76-46-39(63)42(69-9)34(58)27(20-55)72-46;/h11-12,24,26-48,55-64H,10,13-22H2,1-9H3,(H,66,67,68);/q;+1/p-1
InChIKey
KQZXVZVRFIRDCU-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Pervicoside B
CAS: 96157-95-8
CID: 23665003
Formula: C54H85NaO25S
MW: 1189.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1189.3
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count25
Rotatable Bond Count16
Exact Mass1188.49983365
Monoisotopic Mass1188.49983365
Topological Polar Surface Area386 Ų
Heavy Atom Count81
Formal Charge0
Complexity2390
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count28
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
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