Cas no 121254-99-7 (Spiro[3-cyclopentene-1,10'-[3a,7a]propano[1H]indole]-2,5'(4'H)-dione,9'-chloro-2',3'-dihydro-3,6',7'-trimethoxy- (9CI))
![Spiro[3-cyclopentene-1,10'-[3a,7a]propano[1H]indole]-2,5'(4'H)-dione,9'-chloro-2',3'-dihydro-3,6',7'-trimethoxy- (9CI) structure](https://ossimg.kuujia.com/scimg/121500/121254-99-7x500.png)
121254-99-7 structure
Product Name:Spiro[3-cyclopentene-1,10'-[3a,7a]propano[1H]indole]-2,5'(4'H)-dione,9'-chloro-2',3'-dihydro-3,6',7'-trimethoxy- (9CI)
CAS No:121254-99-7
MF:C18H22ClNO5
MW:367.823984622955
CID:148115
Update Time:2024-03-01
Spiro[3-cyclopentene-1,10'-[3a,7a]propano[1H]indole]-2,5'(4'H)-dione,9'-chloro-2',3'-dihydro-3,6',7'-trimethoxy- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Spiro[3-cyclopentene-1,10'-[3a,7a]propano[1H]indole]-2,5'(4'H)-dione,9'-chloro-2',3'-dihydro-3,6',7'-trimethoxy- (9CI)
- (+)-Clolimalongine
- Acutumine,12-demethoxy-1-demethyl-11-deoxy-13-methoxy-, (all-x)-
- Clolimalongine
- Spiro[3-cyclopentene-1,10'-[3a,7a]propano[1H]indole]-2,5'(4'H)-dione, 9'-chloro-2',3'-dihydro-3,6',7'-trimethoxy- (9CI)
-
- Inchi： 1S/C18H22ClNO5/c1-23-11-4-5-17(14(11)22)12(19)9-18-15(25-3)13(24-2)10(21)8-16(17,18)6-7-20-18/h4,12,20H,5-9H2,1-3H3
- InChI Key： AWBBVBCVNQKGBX-UHFFFAOYSA-N
- SMILES： O(C1=C(C(CC23CCNC21CC(C13CC=C(C1=O)OC)Cl)=O)OC)C
Computed Properties
- Exact Mass: 272.08309
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 25
- XLogP3: 0.684
Experimental Properties
- Density: 1.36±0.1 g/cm3(Predicted)
- Boiling Point: 637.1±55.0 °C(Predicted)
- PSA: 52.54
- pka: 6.54±0.70(Predicted)
Spiro[3-cyclopentene-1,10'-[3a,7a]propano[1H]indole]-2,5'(4'H)-dione,9'-chloro-2',3'-dihydro-3,6',7'-trimethoxy- (9CI) Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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