Cas no 27656-46-8 (Card-20(22)-enolide, 3,11,14-trihydroxy-, (3β,5α,11α)- (9CI))
27656-46-8 structure
Product Name:Card-20(22)-enolide, 3,11,14-trihydroxy-, (3β,5α,11α)- (9CI)
CAS No:27656-46-8
MF:C23H34O5
MW:390.513067722321
CID:268741
Update Time:2024-03-01
Card-20(22)-enolide, 3,11,14-trihydroxy-, (3β,5α,11α)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Card-20(22)-enolide,3,11,14-trihydroxy-, (3b,5a,11a)- (9CI)
- (5a)-Sarmentogenin
- 5a-Card-20(22)-enolide, 3b,11a,14-trihydroxy- (8CI)
- Alliotoxigenin
- CID 101306704
- Card-20(22)-enolide, 3,11,14-trihydroxy-, (3β,5α,11α)- (9CI)
-
- Inchi： 1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-20(21)18(25)11-22(2)16(6-8-23(17,22)27)13-9-19(26)28-12-13/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15-,16+,17+,18+,20+,21-,22+,23-/m0/s1
- InChI Key： FLMSQRUGSHIKCT-NEJIGDITSA-N
- SMILES： O[C@]12CC[C@H](C3=CC(=O)OC3)[C@@]1(C)C[C@H]([C@@H]1[C@@]3(C)CC[C@@H](C[C@@H]3CC[C@@H]21)O)O
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 28
- Rotatable Bond Count: 1
- Complexity: 718
- XLogP3: 1.5
- Topological Polar Surface Area: 87
Experimental Properties
- Density: 1.297±0.06 g/cm3(Predicted)
- Melting Point: 295-301 °C
- Boiling Point: 589.4±50.0 °C(Predicted)
- pka: 14.49±0.70(Predicted)
Card-20(22)-enolide, 3,11,14-trihydroxy-, (3β,5α,11α)- (9CI) Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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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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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cardenolides and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Cardenolides and derivatives
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