Cas no 128574-65-2 (Azuleno[6,5-b]furan-2(3H)-one,5-[(6-O-acetyl-b-D-glucopyranosyl)oxy]decahydro-5-methyl-3,8-bis(methylene)-,(3aR,4aR,5R,7aS,9aR)- (9CI))
![Azuleno[6,5-b]furan-2(3H)-one,5-[(6-O-acetyl-b-D-glucopyranosyl)oxy]decahydro-5-methyl-3,8-bis(methylene)-,(3aR,4aR,5R,7aS,9aR)- (9CI) structure](https://ossimg.kuujia.com/scimg/129000/128574-65-2x500.png)
128574-65-2 structure
Product Name:Azuleno[6,5-b]furan-2(3H)-one,5-[(6-O-acetyl-b-D-glucopyranosyl)oxy]decahydro-5-methyl-3,8-bis(methylene)-,(3aR,4aR,5R,7aS,9aR)- (9CI)
CAS No:128574-65-2
MF:C23H32O9
MW:452.494788169861
CID:227079
Update Time:2024-03-01
Azuleno[6,5-b]furan-2(3H)-one,5-[(6-O-acetyl-b-D-glucopyranosyl)oxy]decahydro-5-methyl-3,8-bis(methylene)-,(3aR,4aR,5R,7aS,9aR)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Azuleno[6,5-b]furan-2(3H)-one,5-[(6-O-acetyl-b-D-glucopyranosyl)oxy]decahydro-5-methyl-3,8-bis(methylene)-,(3aR,4aR,5R,7aS,9aR)- (9CI)
- Azuleno[6,5-b]furan-2(3H)-one,5-[(6-O-acetyl-b-D-glucopyranosyl)oxy]decahydro-5-methyl-3,8-bis(methylene)-,(3aR,4aR,5R,7aS,9a
- (-)-Lemmonin A
- Azuleno[6,5-b]furan-2(3H)-one,5-[(6-O-acetyl-b-D-glucopyranosyl)oxy]decahydro-5-methyl-3,8-bis(methylene)-,[3aR-(3aa,4aa,5a,7ab,9aa)]-
- Lemmonin A
- Azuleno[6,5-b]furan-2(3H)-one, 5-[(6-O-acetyl-β-D-glucopyranosyl)oxy]decahydro-5-methyl-3,8-bis(methylene)-, (3aR,4aR,5R,7aS,9aR)-
-
- Inchi： 1S/C23H32O9/c1-10-7-16-14(11(2)21(28)30-16)8-15-13(10)5-6-23(15,4)32-22-20(27)19(26)18(25)17(31-22)9-29-12(3)24/h13-20,22,25-27H,1-2,5-9H2,3-4H3/t13-,14-,15-,16-,17-,18-,19+,20-,22+,23-/m1/s1
- InChI Key： ZFGCXKKWHJYYDK-VUUJCLKNSA-N
- SMILES： O1C(=O)C(=C)[C@@]2([H])C[C@]3([H])[C@]([H])(CC[C@]3(O[C@@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O)C)C(=C)C[C@@]12[H]
Computed Properties
- Exact Mass: 272.08309
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 32
- XLogP3: 0.61
Experimental Properties
- Density: 1.34±0.1 g/cm3(Predicted)
- Boiling Point: 638.1±55.0 °C(Predicted)
- PSA: 52.54
- pka: 12.86±0.70(Predicted)
Azuleno[6,5-b]furan-2(3H)-one,5-[(6-O-acetyl-b-D-glucopyranosyl)oxy]decahydro-5-methyl-3,8-bis(methylene)-,(3aR,4aR,5R,7aS,9aR)- (9CI) Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
128574-65-2 (Azuleno[6,5-b]furan-2(3H)-one,5-[(6-O-acetyl-b-D-glucopyranosyl)oxy]decahydro-5-methyl-3,8-bis(methylene)-,(3aR,4aR,5R,7aS,9aR)- (9CI)) Related Products
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