Basic information
- CAS
22611-36-5- Standard SMILES
CC(C)=CCC[C@H]1C(=O)OC2[C@@H](O)[C@@H]1[C@]1(C)CC[C@H]3C(=CCC4C(C)(C)C(=O)CC[C@@]43C)[C@@]21C- InChIKey
FQOKRVTYFWFZKS-KYVGMKHZSA-N- Molecular formula
- C30H44O4
- Average molar mass
- 468.7 g/mol
- Monoisotopic mass
- 468.32395988
Names & identifiers
- Preferred name
- (2S,11R,12R,15S,16S,17R,20S)-20-Hydroxy-2,7,7,11,15-pentamethyl-17-(4-methylpent-3-enyl)-19-oxapentacyclo[14.3.1.02,15.03,12.06,11]icos-3-ene-8,18-dione
- IUPAC
- (2S,11R,12R,15S,16S,17R,20S)-20-hydroxy-2,7,7,11,15-pentamethyl-17-(4-methylpent-3-enyl)-19-oxapentacyclo[14.3.1.02,15.03,12.06,11]icos-3-ene-8,18-dione
- English name
- (13S,14S,17S)-16β-Hydroxy-3-oxolanosta-7,24-diene-21-oic acid γ-lactone
- Molecular formula
- C30H44O3
- Molecular weight
- 452.66856
Names & synonyms
NSC 126320(2S,11R,12R,15S,16S,17R,20S)-20-Hydroxy-2,7,7,11,15-pentamethyl-17-(4-methylpent-3-enyl)-19-oxapentacyclo[14.3.1.02,15.03,12.06,11]icos-3-ene-8,18-dioneKulactoneNsc126320Monaschromone(13S,14S,17S)-16β-Hydroxy-3-oxolanosta-7,24-diene-21-oic acid γ-lactone(13S,14S,17S)-16β-Hydroxy-3-oxolanosta-7,24-diene-21-oic acid γ-lactone(13α,14β,17α)-16β-Hydroxy-3-oxo-5α-lanosta-7,24-dien-21-oic acid γ-lactoneLanosta-7,24-dien-21-oic acid, 16-hydroxy-3-oxo-, γ-lactone, (13α,14β,16β,17α)-
Database identifiers
- CAS
22611-36-5- PubChem CID
- 181102
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 970
Physicochemical properties
- Melting point
- 163 · 163.0-164.5 °C
- Boiling point
- 562.4 · 562.4±50.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- form
- Solid
- color
- White to off-white
Chemistry & industry
Applications
UsesKulactone, a natural bioflavonoid and an inhibitor against jRdRp, possesses antifungal, antibacterial and antiplasmodial activities. Kulactone exhibit no crossing through Blood Brain Barrier (BBB)[1][2].
Suppliers17 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
成都普菲德生物技术有限公司028-82610909 13388174823 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
武汉市皇臻生物化工有限公司13795480948 · [email protected]
贵州迪大科技有限责任公司0851-8475-2296 18096062265 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海卓因生物科技有限公司021-61317773 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都格利普生物科技有限公司028-87075086 18030859262 · [email protected]
Related reactions
0 records
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Compound notes
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