Cas no 101560-01-4 (Yadanzioside N)
Yadanzioside N structure
Product Name:Yadanzioside N
CAS No:101560-01-4
MF:C34H46O16
MW:710.719452381134
CID:182694
PubChem ID:6451089
Update Time:2024-03-01
Yadanzioside N Chemical and Physical Properties
Names and Identifiers
-
- Picras-1-en-21-oicacid,15-[[(2E)-4-(acetyloxy)-3-ethyl-4-methyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-2-(b-D-glucopyranosyloxy)-11,12-dihydroxy-3,16-dioxo-,methyl ester, (11b,12a,15b)- (9CI)
- Picras-1-en-21-oicacid,15-[[(2E)-4-(acetyloxy)-3-ethyl-4-methyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-2-(b-D-glucopyranosyloxy)-1
- Yadanzioside N
- 2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran,picras-1-en-21-oic acid deriv.
- Picras-1-en-21-oicacid, 15-[[4-(acetyloxy)-3-ethyl-4-methyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-2-(b-D-glucopyranosyloxy)-11,12-dihydroxy-3,16-dioxo-,methyl ester, [11b,12a,15b(E)]-
- Yadanzioside O
- 101560-01-4
- Picras-2-en-21-oic acid, 15-((3,4-dimethyl-1-oxo-2-pentenyl)oxy)-13,20-epoxy-3-(beta-D-glucopyranosyloxy)-11,12-dihydroxy-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta(E))-
-
- Inchi： 1S/C34H46O16/c1-12(2)13(3)8-19(36)50-24-26-33-11-46-34(26,31(44)45-6)28(42)23(40)25(33)32(5)15(9-18(33)49-29(24)43)14(4)7-16(27(32)41)47-30-22(39)21(38)20(37)17(10-35)48-30/h7-8,12,14-15,17-18,20-26,28,30,35,37-40,42H,9-11H2,1-6H3/b13-8+/t14-,15+,17-,18-,20-,21+,22-,23-,24?,25-,26-,28?,30-,32+,33-,34?/m1/s1
- InChI Key： YSFALLIAQRJCQF-IMMXKFRFSA-N
- SMILES： O1C[C@@]23[C@H]4C[C@H]5[C@H](C)C=C(C([C@]5(C)[C@H]2[C@H](C(C1(C(=O)OC)[C@@H]3C(C(=O)O4)OC(/C=C(\C)/C(C)C)=O)O)O)=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O
Computed Properties
- Exact Mass: 710.278585
- Monoisotopic Mass: 710.278585
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 50
- Rotatable Bond Count: 9
- Complexity: 1490
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 13
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 245
- XLogP3: 0.7
Experimental Properties
- Density: 1.5
- Boiling Point: 898.4°Cat760mmHg
- Flash Point: 280.4°C
- Refractive Index: 1.621
- PSA: 245.04000
- LogP: -1.73250
Yadanzioside N Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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