Basic information
- CAS
5988-76-1- Standard SMILES
CC(=O)OC(C)(C)/C=C/C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(CO)C(=O)CC12C- InChIKey
DGIGXLXLGBAJJN-BUHFOSPRSA-N- Molecular formula
- C32H48O8
- Average molar mass
- 560.7 g/mol
- Monoisotopic mass
- 560.33491849
Names & identifiers
- Preferred name
- [(E)-6-[3,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
- IUPAC
- [(E)-6-[3,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
- English name
- Cucurbitacin C
- Molecular formula
- C32H48O8
- Molecular weight
- 560.72
Names & synonyms
Cucurbitacin C(10α,23E)-25-(Acetyloxy)-3β,16α,20-trihydroxy-9β-(hydroxymethyl)-19-norlanosta-5,23-diene-11,22-dione19-Norlanosta-5,23-diene-11,22-dione, 25-(acetyloxy)-3,16,20-trihydroxy-9-(hydroxymethyl)-, (3α,9β,10α,16α,23E)-[(E,6R)-6-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
Database identifiers
- CAS
5988-76-1- PubChem CID
- 5874476
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,150
Experimental & physicochemical properties
Melting Point207.5 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 207 · 207-207.5 °C
- Boiling point
- 701 · 701.0±60.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 12.59 · 12.59±0.29(Predicted)
- InChIKey
- DGIGXLXLGBAJJN-UQMLAXSPNA-N
- FDA UNII
- 938 A8MM70H · 938A8MM70H
- Hazardous Substances Data
- 5988 · 5988-76-1(Hazardous Substances Data)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Hazardous Substances Data
- 5988-76-1(Hazardous Substances Data)
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Applications
UsesCucurbitacin C is a triterpenoid calabinoid that can be isolated from Cucurbitaceae plants. Cucurbitacin C has anti-cancer activity in vivo and in vitro. Cucurbitacin C can induce cell cycle arrest in G1 or G2/M phase and apoptosis by inhibiting Akt signaling[1].
Suppliers28 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
湖北丹鼎医药科技有限公司18917019315（微信同号） 17701422019 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉市皇臻生物化工有限公司13795480948 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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