Basic information
- CAS
28254-53-7- Standard SMILES
C=C1C(=O)OC2C1CCC1(C)C(O)CCC(=C)C21- InChIKey
FKBUODICGDOIGB-UHFFFAOYSA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Overview
6-Hydroxy-5a-methyl-3,9-dimethylidenedecahydronaphtho[1,2-b]furan-2(3h)-one is a sesquiterpene lactone.
Names & identifiers
- Preferred name
- 6-Hydroxy-5a-methyl-3,9-dimethylidenedecahydronaphtho[1,2-b]furan-2(3h)-one
- IUPAC
- 6-hydroxy-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
- English name
- reynosin
- Molecular formula
- C15H20O3
- Molecular weight
- 248.32
Names & synonyms
6-hydroxy-5a-methyl-3,9-dimethylidenedecahydronaphtho[1,2-b]furan-2(3h)-one29424-04-2SESQUITERPENE LACTONE CP-2reynosin [M+H]+SCHEMBL28633984DTXSID80950973CHEBI:182854FKBUODICGDOIGB-UHFFFAOYSA-NDBA25453NSC155623NSC323249NSC-323249
Show more names
ReysinreynosinNaphtho[1,2-b]furan-2(3H)-one, decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-, (3aS,5aR,6R,9aS,9bS)-(3aS)-3a,4,5,5a,6,7,8,9,9aβ,9bα-Decahydro-6α-hydroxy-5aα-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one(3aS,9aβ,9bα)-3a,4,5,5a,6,7,8,9,9a,9b-Decahydro-6α-hydroxy-5aα-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-one
NCGC00385837-01DS-002679Naphtho[1,2-b]furan-2(3h)-one,decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-6-hydroxy-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzouran-2-one
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- Melting point
- 135 · 135 - 143°C
- Boiling point
- 414.3 · 414.3±45.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 14.78 · 14.78±0.40(Predicted)
- color
- White to Off-White
- FDA UNII
- 26569 L9V4 · N26569L9V4
Chemistry & industry
Applications
UsesReynosin is a sesquiterpene derived from Magnolia leaves which shows cytotoxic activity and production of melanin.
Suppliers26 total
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
Shaanxi Haibo Biotechnology Co., Ltd+86-18629295024 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
Stanford Chemicals Company+1 (949) 468-0555 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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