Cas no 156153-56-9 (Avermectin A1a,5-O-demethyl-22,23-dihydro-26-[(2-methoxyethoxy)methoxy]- (9CI))
![Avermectin A1a,5-O-demethyl-22,23-dihydro-26-[(2-methoxyethoxy)methoxy]- (9CI) structure](https://ossimg.kuujia.com/scimg/156500/156153-56-9x500.png)
156153-56-9 structure
Product Name:Avermectin A1a,5-O-demethyl-22,23-dihydro-26-[(2-methoxyethoxy)methoxy]- (9CI)
CAS No:156153-56-9
MF:C52H82O17
MW:979.197298526764
CID:185330
PubChem ID:6448983
Update Time:2025-04-19
Avermectin A1a,5-O-demethyl-22,23-dihydro-26-[(2-methoxyethoxy)methoxy]- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Avermectin A1a,5-O-demethyl-22,23-dihydro-26-[(2-methoxyethoxy)methoxy]- (9CI)
- LogP
- 22,23-Dihydro-5-O-demethyl-26-((2-methoxyethoxy)methoxy)avermectin A1a
- 156153-56-9
- Avermectin A1a, 22,23-dihydro-5-O-demethyl-26-((2-methoxyethoxy)methoxy)-
-
- Inchi： 1S/C52H82O17/c1-11-29(2)47-32(5)17-18-51(69-47)25-38-22-37(68-51)16-15-31(4)46(66-43-24-41(59-10)48(34(7)64-43)67-42-23-40(58-9)44(53)33(6)63-42)30(3)13-12-14-36-27-62-49-45(54)35(26-61-28-60-20-19-57-8)21-39(50(55)65-38)52(36,49)56/h12-15,21,29-30,32-34,37-49,53-54,56H,11,16-20,22-28H2,1-10H3/b13-12+,31-15+,36-14+/t29-,30-,32-,33-,34-,37+,38-,39-,40-,41-,42-,43-,44-,45+,46-,47+,48-,49+,51+,52+/m0/s1
- InChI Key： LRCJTKFGIGIPAE-WVCPODIMSA-N
- SMILES： O1[C@H]([C@@H](C)CC)[C@@H](C)CC[C@@]21C[C@@H]1C[C@@H](CC=C(C)[C@H]([C@@H](C)C=CC=C3CO[C@@H]4[C@@H](C(COCOCCOC)=C[C@@H](C(=O)O1)[C@@]43O)O)O[C@H]1C[C@@H]([C@H]([C@H](C)O1)O[C@H]1C[C@@H]([C@H]([C@H](C)O1)O)OC)OC)O2 |c:17,25,t:23|
Computed Properties
- Exact Mass: 978.555201
- Monoisotopic Mass: 978.555201
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 17
- Heavy Atom Count: 69
- Rotatable Bond Count: 15
- Complexity: 1800
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 20
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 198
- XLogP3: 3.2
Experimental Properties
- Density: 1.24
- Boiling Point: 986.2°C at 760 mmHg
- Flash Point: 272.2°C
- Refractive Index: 1.557
Avermectin A1a,5-O-demethyl-22,23-dihydro-26-[(2-methoxyethoxy)methoxy]- (9CI) Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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