Basic information
- CAS
1092383-76-0- Standard SMILES
C=CC(C)(C)c1cc2cc3c(cc2oc1=O)OC(C(C)(C)OC(C)=O)C3- InChIKey
AWMHMGFGCLBSAY-UHFFFAOYSA-N- Molecular formula
- C21H24O5
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.16237386
Overview
Chalepin acetate is a member of psoralens.
Names & identifiers
- Preferred name
- Rutamarin
- IUPAC
- 2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl acetate
- English name
- rutamarin
- Molecular formula
- C21H24O5
- Molecular weight
- 0
Names & synonyms
Rutamarin14882-94-1DTXSID5010307502-[6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl acetate2-(6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro(3,2-g)chromen-2-yl)propan-2-yl acetateRefChem:931015DTXCID1014456002-(1-acetyloxy)-(1-methylethyl)-6-(1,1-dimethyl-2-propenyl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-oneChalepin acetate(+/-)-RutamarinRutamarin, (+/-)-7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-(acetyloxy)-1-methylethyl)-6-(1,1-dimethyl-2-propenyl)-2,3-dihydro-
Show more names
C093082-(6-(2-methylbut-3-en-2-yl)-7-oxo-3,7-dihydro-2H-furo[3,2-g]chromen-2-yl)propan-2-yl acetate2-(1-Acetoxy-1-methylethyl)-6-(1,1-dimethyl-2-propenyl)-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one
2UKD4797WGNSC2636541092383-76-07H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-6-(1,1-dimethylallyl)-2-(1-hydroxy-1-methylethyl)-, acetate2-(1-(Acetyloxy)-1-methylethyl)-6-(1,1-dimethyl-2-propen-1-yl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-(acetyloxy)-1-methylethyl)-6-(1,1-dimethyl-2-propen-1-yl)-2,3-dihydro-CCRIS 4345NSC 263654
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 645
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point107 - 108 °C
Physical DescriptionSolid
Physicochemical properties
- FDA UNII
- 9 Q5CT45WKY · 9Q5CT45WKY
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers14 total
成都彼样生物科技有限公司18108052721 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [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]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
ALB Technology Limited702-983-3769 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
南京道斯夫生物科技有限公司16651696448 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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