Cas no 31087-88-4 (Card-20(22)-enolide,3-[(2,6-dideoxy-3-O-methyl-a-L-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3b,5b)- (9CI))
![Card-20(22)-enolide,3-[(2,6-dideoxy-3-O-methyl-a-L-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3b,5b)- (9CI) structure](https://ossimg.kuujia.com/scimg/31500/31087-88-4x500.png)
31087-88-4 structure
Product Name:Card-20(22)-enolide,3-[(2,6-dideoxy-3-O-methyl-a-L-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3b,5b)- (9CI)
CAS No:31087-88-4
MF:C30H46O7
MW:518.682050228119
CID:308354
PubChem ID:12310596
Update Time:2025-04-19
Card-20(22)-enolide,3-[(2,6-dideoxy-3-O-methyl-a-L-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3b,5b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Card-20(22)-enolide,3-[(2,6-dideoxy-3-O-methyl-a-L-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3b,5b)- (9CI)
- Digitoxigenin α-L-cymaroside
- 31087-88-4
- CHEMBL4212310
-
- Inchi： 1S/C30H46O7/c1-17-27(32)24(34-4)15-26(36-17)37-20-7-10-28(2)19(14-20)5-6-23-22(28)8-11-29(3)21(9-12-30(23,29)33)18-13-25(31)35-16-18/h13,17,19-24,26-27,32-33H,5-12,14-16H2,1-4H3/t17-,19+,20-,21+,22-,23+,24+,26-,27-,28-,29+,30-/m0/s1
- InChI Key： YBZZSZQZDODUAA-JCTRZUIWSA-N
- SMILES： O[C@]12CC[C@H](C3=CC(=O)OC3)[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](C[C@H]3CC[C@@H]21)O[C@H]1C[C@H]([C@H]([C@H](C)O1)O)OC
Computed Properties
- Exact Mass: 518.32435380g/mol
- Monoisotopic Mass: 518.32435380g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 37
- Rotatable Bond Count: 4
- Complexity: 935
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 12
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 94.4?2
Card-20(22)-enolide,3-[(2,6-dideoxy-3-O-methyl-a-L-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3b,5b)- (9CI) Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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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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