Cas no 62026-30-6 (methyl (2Z)-3-[(3aS,5aR,6R,6aR,9aS,9bR,9cR,10aS)-3-furan-3-yl-6a,9a-dihydroxy-3a,6,8,8,9b-pentamethyl-1,7-dioxododecahydro-3H-furo[3',2':4,5]cyclopenta[1,2-f]oxireno[d]isochromen-6-yl]prop-2-enoate)
![methyl (2Z)-3-[(3aS,5aR,6R,6aR,9aS,9bR,9cR,10aS)-3-furan-3-yl-6a,9a-dihydroxy-3a,6,8,8,9b-pentamethyl-1,7-dioxododecahydro-3H-furo[3',2':4,5]cyclopenta[1,2-f]oxireno[d]isochromen-6-yl]prop-2-enoate structure](https://ossimg.kuujia.com/scimg/62500/62026-30-6x500.png)
62026-30-6 structure
Product Name:methyl (2Z)-3-[(3aS,5aR,6R,6aR,9aS,9bR,9cR,10aS)-3-furan-3-yl-6a,9a-dihydroxy-3a,6,8,8,9b-pentamethyl-1,7-dioxododecahydro-3H-furo[3',2':4,5]cyclopenta[1,2-f]oxireno[d]isochromen-6-yl]prop-2-enoate
CAS No:62026-30-6
MF:C27H32O10
MW:516.536989212036
CID:1635658
PubChem ID:5281308
Update Time:2025-04-21
methyl (2Z)-3-[(3aS,5aR,6R,6aR,9aS,9bR,9cR,10aS)-3-furan-3-yl-6a,9a-dihydroxy-3a,6,8,8,9b-pentamethyl-1,7-dioxododecahydro-3H-furo[3',2':4,5]cyclopenta[1,2-f]oxireno[d]isochromen-6-yl]prop-2-enoate Chemical and Physical Properties
Names and Identifiers
-
- methyl (2Z)-3-[(3aS,5aR,6R,6aR,9aS,9bR,9cR,10aS)-3-furan-3-yl-6a,9a-dihydroxy-3a,6,8,8,9b-pentamethyl-1,7-dioxododecahydro-3H-furo[3',2':4,5]cyclopenta[1,2-f]oxireno[d]isochromen-6-yl]prop-2-enoate
- Harrisonin
- 62026-30-6
- Q27106831
- C08766
- Methyl (2Z)-3-[(3S,3aS,5aR,6R,6aR,9aS,9bR,9cR,10aS)-3-(3-furanyl)dodecahydro-6a,9a-dihydroxy-3a,6,8,8,9b-pentamethyl-1,7-dioxo-3H-furo[3',2':4,5]cyclopent[1,2-f]oxireno[d]-2-benzopyran-6-yl]-2-propenoate
- CHEMBL2398516
- DTXSID901098352
- CHEBI:5627
- methyl (Z)-3-[(1R,2R,4S,7S,8S,11R,12R,13R,17S)-7-(furan-3-yl)-13,17-dihydroxy-1,8,12,15,15-pentamethyl-5,14-dioxo-3,6,16-trioxapentacyclo[9.6.0.02,4.02,8.013,17]heptadecan-12-yl]prop-2-enoate
- Methyl (2Z)-3-[(3S,3aS,5aR,6R,6aR,9aS,9bR,9cR,10aS)-3-(3-furanyl)dodecahydro-6a,9a-dihydroxy-3a,6,8,8,9b-pentamethyl-1,7-dioxo-3H-furo[3a(2),2a(2):4,5]cyclopent[1,2-f]oxireno[d]-2-benzopyran-6-yl]-2-propenoate
-
- Inchi： 1S/C27H32O10/c1-21(2)20(30)25(31)22(3,11-8-16(28)33-6)15-7-10-23(4)17(14-9-12-34-13-14)35-19(29)18-26(23,36-18)24(15,5)27(25,32)37-21/h8-9,11-13,15,17-18,31-32H,7,10H2,1-6H3/b11-8-/t15-,17+,18-,22-,23+,24-,25+,26-,27+/m1/s1
- InChI Key： DYNIRWNERRSOEV-HPGFDZHLSA-N
- SMILES： O1[C@@H]2C(=O)O[C@@H](C3=COC=C3)[C@]3(C)CC[C@@H]4[C@](/C=C\C(=O)OC)(C)[C@]5(C(C(C)(C)O[C@]5([C@@]4(C)[C@]132)O)=O)O
Computed Properties
- Exact Mass: 516.19956
- Monoisotopic Mass: 516.19954721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 37
- Rotatable Bond Count: 4
- Complexity: 1130
- 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
- XLogP3: 1.6
- Topological Polar Surface Area: 145?2
Experimental Properties
- PSA: 145.03
methyl (2Z)-3-[(3aS,5aR,6R,6aR,9aS,9bR,9cR,10aS)-3-furan-3-yl-6a,9a-dihydroxy-3a,6,8,8,9b-pentamethyl-1,7-dioxododecahydro-3H-furo[3',2':4,5]cyclopenta[1,2-f]oxireno[d]isochromen-6-yl]prop-2-enoate Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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