Cas no 68422-20-8 (Isocucurbitacin D)
Isocucurbitacin D structure
Product Name:Isocucurbitacin D
CAS No:68422-20-8
MF:C30H44O7
MW:516.666170120239
CID:523359
PubChem ID:6325422
Update Time:2024-03-01
Isocucurbitacin D Chemical and Physical Properties
Names and Identifiers
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- 19-Norlanosta-5,23-diene-2,11,22-trione,3,16,20,25-tetrahydroxy-9-methyl-, (3a,9b,10a,16a,23E)-
- (9β,10α,23E)-3α,16α,20,25-Tetrahydroxy-9-methyl-19-norlanosta-5,23-diene-2,11,22-trione
- (+)-IsocucurbitacinD
- 3a,16a,20(R),25-Tetrahydroxy-2,11,22-trioxocucurbita-5,23(E)-diene
- Isocucurbitacin D
- CHEMBL1765382
- 68422-20-8
- (3S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-3,16-dihydroxy-4,4,9,13,14-pentamethyl-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-2,11-dione
- SCHEMBL10307343
-
- Inchi： 1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17,19-20,23-24,32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1
- InChI Key： ALPSEMFPAVSKJO-DJMAWCNKSA-N
- SMILES： O[C@@H]1C[C@@]2(C)[C@@H]3CC=C4C(C)(C)[C@@H](C(C[C@H]4[C@]3(C)C(C[C@]2(C)[C@H]1[C@@](C(/C=C/C(C)(C)O)=O)(C)O)=O)=O)O
Computed Properties
- Exact Mass: 516.30870374g/mol
- Monoisotopic Mass: 516.30870374g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 37
- Rotatable Bond Count: 4
- Complexity: 1100
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 132
- XLogP3: 1.9
Isocucurbitacin D Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| ChemFaces | CFN95326-5mg |
Isocucurbitacin D |
68422-20-8 | > 95% | 5mg |
$318 | 2023-09-19 |
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Isocucurbitacin D Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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(CAS:68422-20-8)IsocucurbitacinD
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