Cas no 852469-38-6 (3beta-O-[beta-d-quinovopyranosyl-(1->2)-4-O-sodium sulfate-beta-D-xylopyranosyl]-25-hydroxyholosta-9,23-diene-12alpha,17alpha-diol)
![3beta-O-[beta-d-quinovopyranosyl-(1->2)-4-O-sodium sulfate-beta-D-xylopyranosyl]-25-hydroxyholosta-9,23-diene-12alpha,17alpha-diol structure](https://ossimg.kuujia.com/scimg/852500/852469-38-6x500.png)
852469-38-6 structure
Product Name:3beta-O-[beta-d-quinovopyranosyl-(1->2)-4-O-sodium sulfate-beta-D-xylopyranosyl]-25-hydroxyholosta-9,23-diene-12alpha,17alpha-diol
CAS No:852469-38-6
MF:C41H64O17S
MW:861.001673698425
CID:2000801
Update Time:2025-04-21
3beta-O-[beta-d-quinovopyranosyl-(1->2)-4-O-sodium sulfate-beta-D-xylopyranosyl]-25-hydroxyholosta-9,23-diene-12alpha,17alpha-diol Chemical and Physical Properties
Names and Identifiers
-
- 3beta-O-[beta-d-quinovopyranosyl-(1->2)-4-O-sodium sulfate-beta-D-xylopyranosyl]-25-hydroxyholosta-9,23-diene-12alpha,17alpha-diol
- holothurin B4
- (-)-Holothurin B4
-
- Inchi： 1S/C41H64O17S/c1-20-27(43)29(45)30(46)32(54-20)56-31-28(44)23(58-59(50,51)52)19-53-33(31)55-26-12-15-37(6)22-18-25(42)41-34(47)57-39(8,14-9-13-35(2,3)48)40(41,49)17-16-38(41,7)21(22)10-11-24(37)36(26,4)5/h9,13,18,20-21,23-33,42-46,48-49H,10-12,14-17,19H2,1-8H3,(H,50,51,52)
- InChI Key： YVDSJWPQFKPSCE-UHFFFAOYSA-N
- SMILES： CC1C(O)C(O)C(O)C(OC2C(OC3C(C)(C)C4CCC5C6(C7(C(CC6)(O)C(CC=CC(O)(C)C)(C)OC7=O)C(O)C=C5C4(C)CC3)C)OCC(OS(=O)(=O)O)C2O)O1
Computed Properties
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 17
- Heavy Atom Count: 59
- XLogP3: 0.559
3beta-O-[beta-d-quinovopyranosyl-(1->2)-4-O-sodium sulfate-beta-D-xylopyranosyl]-25-hydroxyholosta-9,23-diene-12alpha,17alpha-diol Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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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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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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