Cas no 94513-55-0 (1H-Pyrrole-2-carboxylicacid,(4R,4aR,6S,6aS,7S,8R,8aS,8bR,9S,9aS)-dodecahydro-4,6,7,8a,8b,9a-hexahydroxy-6a,9-dimethyl-3-methylene-7-(1-methylethyl)-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-ylester)
![1H-Pyrrole-2-carboxylicacid,(4R,4aR,6S,6aS,7S,8R,8aS,8bR,9S,9aS)-dodecahydro-4,6,7,8a,8b,9a-hexahydroxy-6a,9-dimethyl-3-methylene-7-(1-methylethyl)-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-ylester structure](https://ossimg.kuujia.com/scimg/95000/94513-55-0x500.png)
94513-55-0 structure
Product Name:1H-Pyrrole-2-carboxylicacid,(4R,4aR,6S,6aS,7S,8R,8aS,8bR,9S,9aS)-dodecahydro-4,6,7,8a,8b,9a-hexahydroxy-6a,9-dimethyl-3-methylene-7-(1-methylethyl)-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-ylester
CAS No:94513-55-0
MF:C25H33NO9
MW:491.530828237534
CID:804137
PubChem ID:13769851
Update Time:2025-04-19
1H-Pyrrole-2-carboxylicacid,(4R,4aR,6S,6aS,7S,8R,8aS,8bR,9S,9aS)-dodecahydro-4,6,7,8a,8b,9a-hexahydroxy-6a,9-dimethyl-3-methylene-7-(1-methylethyl)-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-ylester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxylicacid,(4R,4aR,6S,6aS,7S,8R,8aS,8bR,9S,9aS)-dodecahydro-4,6,7,8a,8b,9a-hexahydroxy-6a,9-dimethyl-3-methylene-7-(1-methylethyl)-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-ylester
- 1H-Pyrrole-2-carboxylicacid,(4R,4aR,6S,6aS,7S,8R,8aS,8bR,9S,9aS)-dodecahydro-4,6,7,8a,8b,9a-he...
- 1H-Pyrrole-2-carboxylicacid,(4R,4aR,6S,6aS,7S,8R,8aS,8bR,9S,9aS)-dodecahydro-4,6,7,8a,8b,9a-hexahydroxy-6a,9-dimethyl-3-methy
- 9,21-DEHYDRORYANODINE
- 9,21-DIDEHYDRORYANODINE
- RYANODINE,9,21-DEHYDRO
- FT-0642279
- (2,6,9,11,13,14-hexahydroxy-7,10-dimethyl-3-methylidene-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl) 1H-pyrrole-2-carboxylate
- 94513-55-0
- BPFNBBLVUYSFRK-OHEPIYSBSA-N
- DEHYDRORYANODINE
- BDBM50016403
- [(1R,2R,6S,7S,9S,10S,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-7,10-dimethyl-3-methylidene-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate
- CHEMBL2273036
- DTXSID50915473
- 4,6,7,8a,8b,9a-Hexahydroxy-6a,9-dimethyl-3-methylidene-7-(propan-2-yl)dodecahydro-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-yl 1H-pyrrole-2-carboxylate
- CHEMBL350293
- Dehydro-ryanodine
- 2,6,9,11,13,14-hexahydroxy-11-isopropyl-7,10-dimethyl-3-methylene-(1R,2R,6S,7S,9S,10R,11S,12R,13S,14R)-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadec-12-yl 1H-2-pyrrolecarboxylate
- DB-057505
-
- Inchi： 1S/C25H33NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12,15,17,26-27,29-33H,3,8-9,11H2,1-2,4-5H3
- InChI Key： BPFNBBLVUYSFRK-UHFFFAOYSA-N
- SMILES： O1C2(CC3(C)C4(CCC(=C)C(C14C1(C3(C(C(C(C)C)(C12C)O)OC(C1=CC=CN1)=O)O)O)O)O)O
Computed Properties
- Exact Mass: 491.21600
- Monoisotopic Mass: 491.216
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 35
- Rotatable Bond Count: 4
- Complexity: 1050
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: -1.1
- Topological Polar Surface Area: 173
Experimental Properties
- Density: 1.57
- Boiling Point: 724.3°Cat760mmHg
- Flash Point: 391.8°C
- Refractive Index: 1.697
- PSA: 172.70000
- LogP: -0.26750
1H-Pyrrole-2-carboxylicacid,(4R,4aR,6S,6aS,7S,8R,8aS,8bR,9S,9aS)-dodecahydro-4,6,7,8a,8b,9a-hexahydroxy-6a,9-dimethyl-3-methylene-7-(1-methylethyl)-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-ylester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHENG KE LU SI SHENG WU JI SHU | sc-291770-1mg |
9,21-Dehydroryanodine, |
94513-55-0 | ≥96% | 1mg |
￥3505.00 | 2023-09-05 | |
| SHENG KE LU SI SHENG WU JI SHU | sc-291770-1 mg |
9,21-Dehydroryanodine, |
94513-55-0 | ≥96% | 1mg |
￥3,505.00 | 2023-07-11 |
1H-Pyrrole-2-carboxylicacid,(4R,4aR,6S,6aS,7S,8R,8aS,8bR,9S,9aS)-dodecahydro-4,6,7,8a,8b,9a-hexahydroxy-6a,9-dimethyl-3-methylene-7-(1-methylethyl)-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-ylester Related Literature
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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