Cas no 595-64-2 (Neogermbudine)
Neogermbudine structure
Product Name:Neogermbudine
CAS No:595-64-2
MF:C37H59NO12
MW:709.863872766495
CID:950344
PubChem ID:3037030
Update Time:2024-03-04
Neogermbudine Chemical and Physical Properties
Names and Identifiers
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- neogermbudine
- Neogermbudine
-
- Inchi： 1S/C37H59NO12/c1-8-18(3)30(42)49-29-27(41)26-20(16-38-15-17(2)9-10-24(38)34(26,7)45)21-14-35-28(36(21,29)46)22(40)13-23-32(35,5)12-11-25(37(23,47)50-35)48-31(43)33(6,44)19(4)39/h17-29,39-41,44-47H,8-16H2,1-7H3/t17-,18+,19+,20-,21-,22+,23?,24-,25-,26+,27+,28+,29-,32-,33-,34+,35?,36?,37-/m0/s1
- InChI Key： LWSPRPDSPCBAKK-KFQWNRGESA-N
- SMILES： O1[C@@]2([C@H](CC[C@@]3(C)C2C[C@H]([C@H]2C4([C@H]([C@@H]([C@@H]5[C@@](C)([C@@H]6CC[C@H](C)CN6C[C@H]5[C@@H]4CC132)O)O)OC([C@H](C)CC)=O)O)O)OC([C@](C)([C@@H](C)O)O)=O)O
Computed Properties
- Exact Mass: 709.40372632g/mol
- Monoisotopic Mass: 709.40372632g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 50
- Rotatable Bond Count: 8
- Complexity: 1400
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 16
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 207
- XLogP3: 0.8
Neogermbudine Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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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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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cerveratrum-type alkaloids
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal alkaloids Cerveratrum-type alkaloids
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