Cas no 114899-80-8 (Ecteinascidin 770)
Ecteinascidin 770 structure
Product Name:Ecteinascidin 770
CAS No:114899-80-8
MF:C40H42N4O10S
MW:770.847289562225
CID:141601
PubChem ID:10952807
Update Time:2025-04-19
Ecteinascidin 770 Chemical and Physical Properties
Names and Identifiers
-
- Spiro[6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1'(2'H)-isoquinoline]-14-carbonitrile,5-(acetyloxy)-3',4',6,6a,7,13,14,16-octahydro-6',8-dihydroxy-7',9-dimethoxy-4,10,23-trimethyl-19-oxo-,(1'R,6R,6aR,7R,13S,14R,16R)-
- ecteinascidin 770
- Spiro[6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1'(2'H)-isoquinoline]-14
- Ecteinascidine 770
- Et 770
- Et-770
- CHEMBL448144
- SCHEMBL9765335
- HY-101191
- AKOS040733065
- Ecteinascidin770
- CS-6236
- BGFXHQYUWCGGLL-QWIBJBKUSA-N
- MS-31394
- F85510
- [(1R,2R,3R,11S,12R,14R,26R)-12-cyano-5,6'-dihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate
- 114899-80-8
- ((1R,2R,3R,11S,12R,14R,26R)-12-cyano-5,6'-dihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxospiro(17,19,28-trioxa-24-thia-13,30-diazaheptacyclo(12.9.6.13,11.02,13.04,9.015,23.016,20)triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydro-2H-isoquinoline)-22-yl) acetate
- (1R,2R,3R,11S,12S,14R,26R)-5,6'-Dihydroxy-6,7'-dimethoxy-7,12,21,30-tetramethyl-27-oxo-3',4'-dihydro-2'H-17,19,28-trioxa-24-thia-13,30-diazaspiro(heptacyclo(12.9.6.1,.0,.0,.0,.0,)triacontane-26,1'-isoquinoline)-4(9),5,7,15(23),16(20),21-hexaen-22-yl acetic acid
- (1R,2R,3R,11S,12S,14R,26R)-5,6'-Dihydroxy-6,7'-dimethoxy-7,12,21,30-tetramethyl-27-oxo-3',4'-dihydro-2'H-17,19,28-trioxa-24-thia-13,30-diazaspiro[heptacyclo[12.9.6.1,.0,.0,.0,.0,]triacontane-26,1'-isoquinoline]-4(9),5,7,15(23),16(20),21-hexaen-22-yl acetic acid
- ((1R,2R,12R,14R,26R)-12-cyano-5,6'-dihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxospiro(17,19,28-trioxa-24-thia-13,30-diazaheptacyclo(12.9.6.13,11.02,13.04,9.015,23.016,20)triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydro-2H-isoquinoline)-22-yl) acetate
- [(1R,2R,12R,14R,26R)-12-cyano-5,6'-dihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate
- Ecteinascidin 770
-
- Inchi： 1S/C40H42N4O10S/c1-17-9-21-10-23-24(13-41)44-25-14-51-39(48)40(22-12-27(49-5)26(46)11-20(22)7-8-42-40)15-55-38(32(44)31(43(23)4)28(21)33(47)34(17)50-6)30-29(25)37-36(52-16-53-37)18(2)35(30)54-19(3)45/h9,11-12,23-25,31-32,38,42,46-47H,7-8,10,14-16H2,1-6H3/t23-,24-,25-,31+,32+,38+,40+/m0/s1
- InChI Key： BGFXHQYUWCGGLL-QWIBJBKUSA-N
- SMILES： S1C[C@@]2(C3C=C(C(=CC=3CCN2)O)OC)C(=O)OC[C@H]2C3=C4C(=C(C)C(=C3[C@@H]1[C@H]1[C@H]3C5C(=C(C(C)=CC=5C[C@@H]([C@H](C#N)N12)N3C)OC)O)OC(C)=O)OCO4
Computed Properties
- Exact Mass: 770.26200
- Monoisotopic Mass: 770.26216472g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 55
- Rotatable Bond Count: 4
- Complexity: 1550
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 198?2
Experimental Properties
- PSA: 197.58000
- LogP: 4.19158
Ecteinascidin 770 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| MedChemExpress | HY-101191-1mg |
Ecteinascidin 770 |
114899-80-8 | 98.77% | 1mg |
￥2600 | 2024-05-25 | |
| ChemScence | CS-6236-5mg |
Ecteinascidin 770 |
114899-80-8 | ≥99.0% | 5mg |
$280.0 | 2022-04-28 | |
| ChemScence | CS-6236-10mg |
Ecteinascidin 770 |
114899-80-8 | ≥99.0% | 10mg |
$400.0 | 2022-04-28 | |
| ChemScence | CS-6236-50mg |
Ecteinascidin 770 |
114899-80-8 | ≥99.0% | 50mg |
$1200.0 | 2022-04-28 | |
| MedChemExpress | HY-101191-5mg |
Ecteinascidin 770 |
114899-80-8 | 98.77% | 5mg |
￥7500 | 2024-05-25 | |
| MedChemExpress | HY-101191-10mg |
Ecteinascidin 770 |
114899-80-8 | 99.88% | 10mg |
￥12000 | 2023-08-31 | |
| MedChemExpress | HY-101191-50mg |
Ecteinascidin 770 |
114899-80-8 | ≥99.0% | 50mg |
￥12000 | 2022-06-06 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | E60260-1mg |
Ecteinascidin 770 |
114899-80-8 | 98% | 1mg |
￥27202.0 | 2021-09-09 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajce50554-1mg |
Ecteinascidin 770 (Ecteinascidine 770) |
114899-80-8 | 98% | 1mg |
￥14924.00 | 2023-09-07 | |
| TRC | E225900-1mg |
Ecteinascidin 770 |
114899-80-8 | 1mg |
$ 800.00 | 2023-09-07 |
Ecteinascidin 770 Suppliers
Amadis Chemical Company Limited
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(CAS:114899-80-8)Ecteinascidin 770
Order Number:A950468
Stock Status:in Stock
Quantity:1mg/5mg
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 16:07
Price ($):326.0/940.0
Email:[email protected]
Ecteinascidin 770 Related Literature
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Recommended suppliers
Amadis Chemical Company Limited
(CAS:114899-80-8)Ecteinascidin 770
Purity:99%/99%
Quantity:1mg/5mg
Price ($):326.0/940.0