Identification

PhytoHub ID
PHUB000014
Name
Cucurbitacin C
Synonyms
Not Available
CAS Number
Not Available
Average Mass
560.728
Monoisotopic Mass
560.334918506
Chemical Formula
C32H48O8
IUPAC Name
cucurbitacin C
InChI Key
DGIGXLXLGBAJJN-TUOUHCSQSA-N
InChI Identifier
InChI=1S/C32H48O8/c1-18(34)40-27(2,3)14-13-24(37)31(8,39)26-21(35)15-29(6)22-11-9-19-20(10-12-23(36)28(19,4)5)32(22,17-33)25(38)16-30(26,29)7/h9,13-14,20-23,26,33,35-36,39H,10-12,15-17H2,1-8H3/b14-13+/t20-,21-,22+,23+,26+,29+,30-,31+,32+/m1/s1
SMILES
[H][C@@]1([C@H](O)C[C@@]2(C)[C@]3([H])CC=C4[C@@]([H])(CC[C@H](O)C4(C)C)[C@]3(CO)C(=O)C[C@]12C)[C@@](C)(O)C(=O)\C=C\C(C)(C)OC(C)=O
Structure

Calculated Properties

Solubility (ALOGPS)
1.07e-02 g/l
LogS (ALOGPS)
-4.72
LogP (ALOGPS)
3.19
Hydrogen Acceptors
7
Hydrogen Donors
4
Rotatable Bond Count
7
Polar Surface Area
141.36
Refractivity
152.14809999999997
Polarizability
62.28740108353742
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-0.8705403425165058
pKa (strongest acidic)
12.93835093706144
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Taxonomy

Family
Terpenoids
Class
Miscellaneous terpenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
CucumberVegetables, Gourds PublicationsShow

Metabolism

No metabolism information available

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