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Saponin CP4

CAT: 0804-HY-107233Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-107233Size:1 Each
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Description
Saponin CP4 is an oleanolic acid derivative which lacks a 23-OH. Saponin CP4 shows no growth inhibition[1].
CAS Number
75799-18-7
Product Name Alternative
Prosapogenin CP4
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/saponin-cp4.html
Solubility
10 mM in DMSO
Smiles
C[C@@]1(CC[C@]2(CC3)C(O)=O)C([C@]2([H])CC3(C)C)=CC[C@@]4([H])[C@]1(CC[C@](C(C)5C)([H])[C@@]4(CC[C@@H]5O[C@H](OC[C@@H]6O)[C@@H]([C@H]6O)O[C@H](O[C@H]7C)[C@@H]([C@@H]([C@H]7O)O[C@H](OC[C@H]8O)[C@@H]([C@@H]8O)O)O)C)C
Molecular Formula
C46H74O15
Molecular Weight
867.07
References & Citations
[1]Yukiyoshi Tamura, et al. Application of Saponin-Containing Plants in Foods and Cosmetics.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Presapogenin CP4

Presapogenin CP4 has been reported in Sapindus mukorossi with data available.

CAS Number75799-18-7
PubChem CID13880090
IUPAC Name10-[3-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-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 FormulaC46H74O15
Molecular Weight867.1
XLogP3.3
Topological Polar Surface Area234
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Heavy Atom Count61
Formal Charge0
Complexity1670
SMILES
CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)OC8C(C(C(CO8)O)O)O)O
InChI
InChI=1S/C46H74O15/c1-22-30(49)35(60-37-33(52)31(50)25(47)20-56-37)34(53)38(58-22)61-36-32(51)26(48)21-57-39(36)59-29-12-13-43(6)27(42(29,4)5)11-14-45(8)28(43)10-9-23-24-19-41(2,3)15-17-46(24,40(54)55)18-16-44(23,45)7/h9,22,24-39,47-53H,10-21H2,1-8H3,(H,54,55)
InChIKey
QDYPTQWAAOGCJD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Presapogenin CP4
CAS: 75799-18-7
CID: 13880090
Formula: C46H74O15
MW: 867.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight867.1
XLogP33.3
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Exact Mass866.50277165
Monoisotopic Mass866.50277165
Topological Polar Surface Area234 Ų
Heavy Atom Count61
Formal Charge0
Complexity1670
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count21
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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