Cas no 23394-15-2 (Cholest-5-en-3-ol (3beta)-, hexanedioate (2:1))
23394-15-2 structure
Product Name:Cholest-5-en-3-ol (3beta)-, hexanedioate (2:1)
CAS No:23394-15-2
MF:C60H98O4
MW:883.417739391327
CID:263818
Update Time:2023-08-02
Cholest-5-en-3-ol (3beta)-, hexanedioate (2:1) Chemical and Physical Properties
Names and Identifiers
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- Cholest-5-en-3-ol (3b)-, hexanedioate (2:1)
- Hexanedioic acid bis(cholest-5-en-3β-yl) ester
- Adipic acid, dicholesteryl ester (8CI)
- Cholesterol,adipate (2:1) (8CI)
- Dicholesteryladipate
- Cholest-5-en-3-ol (3beta)-, hexanedioate (2:1)
- Hexanedioic acid bis(cholest-5-en-3beta-yl) ester
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- Inchi： 1S/C60H98O4/c1-39(2)15-13-17-41(5)49-25-27-51-47-23-21-43-37-45(29-33-57(43,7)53(47)31-35-59(49,51)9)63-55(61)19-11-12-20-56(62)64-46-30-34-58(8)44(38-46)22-24-48-52-28-26-50(42(6)18-14-16-40(3)4)60(52,10)36-32-54(48)58/h21-22,39-42,45-54H,11-20,23-38H2,1-10H3/t41-,42-,45+,46+,47+,48+,49-,50-,51+,52+,53+,54+,57+,58+,59-,60-/m1/s1
- InChI Key： OMZYWBGSYAZYEE-YPCQYWAFSA-N
- SMILES： O(C(CCCCC(=O)O[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]21)=O)[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]21
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 64
- Rotatable Bond Count: 19
- Complexity: 1570
- Topological Polar Surface Area: 52.6
Cholest-5-en-3-ol (3beta)-, hexanedioate (2:1) Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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