Basic information
- CAS
28957-08-6- Standard SMILES
C=C1C(=O)C23C(O)C1CCC2C12COC3(O)C(O)C1C(C)(C)CCC2OC(C)=O- InChIKey
DJQLJZNVICMJRV-UHFFFAOYSA-N- Molecular formula
- C22H30O7
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.19915329
Overview
(9,10,18-Trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl) acetate has been reported in Isodon macrophyllus with data available.
Names & identifiers
- Preferred name
- (9,10,18-Trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo(7.6.2.15,8.01,11.02,8)octadecan-15-yl) acetate
- IUPAC
- (9,10,18-trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl) acetate
- English name
- lasiokaurin
- Molecular formula
- C22H30O7
- Molecular weight
- 406.47
Names & synonyms
(9,10,18-Trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl) acetate(9,10,18-Trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo(7.6.2.15,8.01,11.02,8)octadecan-15-yl) acetateRefChem:1050747LasiodinSCHEMBL30786458DTXSID30951576NSC25068314alpha-trihydroxy-16-kauren-15-oneAKOS032949133FL65666NSC-250683DA-64872
Show more names
NSC 250683Oridonin 1-acetateLasiodin,Inhibitor,inhibit(14R)-1α-Acetoxy-7α,20-epoxy-6β,7,14-trihydroxykaur-16-en-15-oneKaur-16-en-15-one, 1-(acetyloxy)-7,20-epoxy-6,7,14-trihydroxy-, (1α,6β,7α,14R)-(1S,4aR,5S,6S,6aR,9S,11aS,11bS,14R)-5,6,14-Trihydroxy-4,4-dimethyl-8-methylene-7-oxododecahydro-1H-6,11b-(epoxymethano)-6a,9-methanocyclohepta[a]naphthalen-1-yl acetate
G889086,7,14-trihydroxy-15-oxo-7,20-epoxykaur-16-en-1-yl acetate(9,10,18-trihydroxy-12,12-dimethyl-6-methylene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl) acetate[(1S,2S,5S,8R,9S,10S,11R,15S,18R)-9,10,18-trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1^{5,8.0^{1,11.0^{2,8]octadecan-15-yl] acetate
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 820
Physicochemical properties
- Melting point
- 238 · 238-239℃
- Boiling point
- 588.005 · 588.005±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.381 · 1.381±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.838 · 10.838±0.70(predicted)
- form
- Solid
- color
- White to off-white
- InChIKey
- DJQLJZNVICMJRV-BTZXMRDLNA-N
- SMILES
- [C@@]123C(=O)C(=C)[C@]([H])(CC[C@@]1([H])[C@@]14CO[C@]2(O)[C@H]([C@]1([H])C(C)(C)CC[C@@H]4OC(=O)C)O)[C@H]3O |&1:0,5,9,11,14,16,17,24,30,r|
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesLasiokaurin is a diterpenoid compound isolated from Isodon lasiocarpus[1].
Suppliers55 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
江苏永健医药科技有限公司17701422015 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
湖北丹鼎医药科技有限公司18917019315（微信同号） 17701422019 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
上海颖心实验室设备有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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