Cas no 852469-37-5 (3beta-O-[beta-D-quinovopyranosyl-(1->2)-4-O-sodium sulfate-beta-D-xylopyranosyl]-22,25-epoxyholost-9-en-12alpha-ol)
![3beta-O-[beta-D-quinovopyranosyl-(1->2)-4-O-sodium sulfate-beta-D-xylopyranosyl]-22,25-epoxyholost-9-en-12alpha-ol structure](https://ossimg.kuujia.com/scimg/852500/852469-37-5x500.png)
852469-37-5 structure
Product Name:3beta-O-[beta-D-quinovopyranosyl-(1->2)-4-O-sodium sulfate-beta-D-xylopyranosyl]-22,25-epoxyholost-9-en-12alpha-ol
CAS No:852469-37-5
MF:C41H64O16S
MW:845.00227355957
CID:2004979
Update Time:2025-04-21
3beta-O-[beta-D-quinovopyranosyl-(1->2)-4-O-sodium sulfate-beta-D-xylopyranosyl]-22,25-epoxyholost-9-en-12alpha-ol Chemical and Physical Properties
Names and Identifiers
-
- 3beta-O-[beta-D-quinovopyranosyl-(1->2)-4-O-sodium sulfate-beta-D-xylopyranosyl]-22,25-epoxyholost-9-en-12alpha-ol
- holothurin B3
- (-)-Holothurin B3
-
- Inchi： 1S/C41H64O16S/c1-19-28(43)30(45)31(46)33(52-19)54-32-29(44)22(57-58(48,49)50)18-51-34(32)53-26-13-15-38(6)21-17-25(42)41-24(40(8,56-35(41)47)27-12-14-36(2,3)55-27)11-16-39(41,7)20(21)9-10-23(38)37(26,4)5/h17,19-20,22-34,42-46H,9-16,18H2,1-8H3,(H,48,49,50)
- InChI Key： VSHFFKMQPABHAM-UHFFFAOYSA-N
- SMILES： CC1C(O)C(O)C(O)C(OC2C(OC3C(C)(C)C4CCC5C6(C7(C(=O)OC(C8OC(C)(C)CC8)(C)C7CC6)C(O)C=C5C4(C)CC3)C)OCC(OS(=O)(=O)O)C2O)O1
Computed Properties
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 58
- XLogP3: 2.225
3beta-O-[beta-D-quinovopyranosyl-(1->2)-4-O-sodium sulfate-beta-D-xylopyranosyl]-22,25-epoxyholost-9-en-12alpha-ol Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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