Cas no 80618-95-7 ((1E,7E)-12-benzyl-6,9-dihydroxy-4,6,13,13a-tetramethyl-3,4,5,6,9,11,12,12a,13,13a,14a,14b-dodecahydro-10H-cycloundeca[d]oxireno[f]isoindol-10-one)
![(1E,7E)-12-benzyl-6,9-dihydroxy-4,6,13,13a-tetramethyl-3,4,5,6,9,11,12,12a,13,13a,14a,14b-dodecahydro-10H-cycloundeca[d]oxireno[f]isoindol-10-one structure](https://ossimg.kuujia.com/scimg/81000/80618-95-7x500.png)
80618-95-7 structure
Product Name:(1E,7E)-12-benzyl-6,9-dihydroxy-4,6,13,13a-tetramethyl-3,4,5,6,9,11,12,12a,13,13a,14a,14b-dodecahydro-10H-cycloundeca[d]oxireno[f]isoindol-10-one
CAS No:80618-95-7
MF:C28H37NO4
MW:451.597688436508
CID:1801633
PubChem ID:6443110
Update Time:2025-04-21
(1E,7E)-12-benzyl-6,9-dihydroxy-4,6,13,13a-tetramethyl-3,4,5,6,9,11,12,12a,13,13a,14a,14b-dodecahydro-10H-cycloundeca[d]oxireno[f]isoindol-10-one Chemical and Physical Properties
Names and Identifiers
-
- (1E,7E)-12-benzyl-6,9-dihydroxy-4,6,13,13a-tetramethyl-3,4,5,6,9,11,12,12a,13,13a,14a,14b-dodecahydro-10H-cycloundeca[d]oxireno[f]isoindol-10-one
- 80618-95-7
- 18,21D-6,7-epoxy-10-phenyl-5,6,16,18-tetramethyl(11)cytochalasa-13,19-dien-1-one
- (11)Cytochalasa-13,19-dien-1-one, 6,7-epoxy-18,21-dihydroxy-16,18-dimethyl-10-phenyl-, (7S,13E,16S,18S,19E,21R)
- DTXSID301338750
- Epoxydeacetylcytochalasin H
-
- Inchi： 1S/C28H37NO4/c1-17-9-8-12-20-24-27(4,33-24)18(2)23-21(15-19-10-6-5-7-11-19)29-25(31)28(20,23)22(30)13-14-26(3,32)16-17/h5-8,10-14,17-18,20-24,30,32H,9,15-16H2,1-4H3,(H,29,31)
- InChI Key： COONBRMXQBPXKF-UHFFFAOYSA-N
- SMILES： CC1C2(C(O2)C2C=CCC(CC(C=CC(C32C1C(NC3=O)CC1C=CC=CC=1)O)(O)C)C)C
Computed Properties
- Exact Mass: 451.27225866g/mol
- Monoisotopic Mass: 451.27225866g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 33
- Rotatable Bond Count: 2
- Complexity: 834
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 10
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 82.1?2
(1E,7E)-12-benzyl-6,9-dihydroxy-4,6,13,13a-tetramethyl-3,4,5,6,9,11,12,12a,13,13a,14a,14b-dodecahydro-10H-cycloundeca[d]oxireno[f]isoindol-10-one Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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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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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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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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