Cas no 81279-34-7 (2-Propenoicacid,3-[(3S,3aS,4R,5aR,6R,6aR,9aS,9bR,9cR,10aS)-4-(acetyloxy)-3-(3-furanyl)dodecahydro-6a,9a-dihydroxy-3a,6,8,8,9b-pentamethyl-1,7-dioxo-3H-furo[3',2':4,5]cyclopent[1,2-f]oxireno[d]-2-benzopyran-6-yl]-,methyl ester, (2Z)-)
![2-Propenoicacid,3-[(3S,3aS,4R,5aR,6R,6aR,9aS,9bR,9cR,10aS)-4-(acetyloxy)-3-(3-furanyl)dodecahydro-6a,9a-dihydroxy-3a,6,8,8,9b-pentamethyl-1,7-dioxo-3H-furo[3',2':4,5]cyclopent[1,2-f]oxireno[d]-2-benzopyran-6-yl]-,methyl ester, (2Z)- structure](https://ossimg.kuujia.com/scimg/81500/81279-34-7x500.png)
81279-34-7 structure
Product Name:2-Propenoicacid,3-[(3S,3aS,4R,5aR,6R,6aR,9aS,9bR,9cR,10aS)-4-(acetyloxy)-3-(3-furanyl)dodecahydro-6a,9a-dihydroxy-3a,6,8,8,9b-pentamethyl-1,7-dioxo-3H-furo[3',2':4,5]cyclopent[1,2-f]oxireno[d]-2-benzopyran-6-yl]-,methyl ester, (2Z)-
CAS No:81279-34-7
MF:C29H34O12
MW:574.573070049286
CID:734301
PubChem ID:6440676
Update Time:2025-04-19
2-Propenoicacid,3-[(3S,3aS,4R,5aR,6R,6aR,9aS,9bR,9cR,10aS)-4-(acetyloxy)-3-(3-furanyl)dodecahydro-6a,9a-dihydroxy-3a,6,8,8,9b-pentamethyl-1,7-dioxo-3H-furo[3',2':4,5]cyclopent[1,2-f]oxireno[d]-2-benzopyran-6-yl]-,methyl ester, (2Z)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoicacid,3-[(3S,3aS,4R,5aR,6R,6aR,9aS,9bR,9cR,10aS)-4-(acetyloxy)-3-(3-furanyl)dodecahydro-6a,9a-dihydroxy-3a,6,8,8,9b-pentamethyl-1,7-dioxo-3H-furo[3',2':4,5]cyclopent[1,2-f]oxireno[d]-2-benzopyran-6-yl]-,methyl ester, (2Z)-
- 2-Propenoicacid,3-[(3S,3aS,4R,5aR,6R,6aR,9aS,9bR,9cR,10aS)-4-(acetyloxy)-3-(3-furanyl)dodecahydro-6a,9a-dihydroxy-3a,6,8,8,9b-pentamethyl-1,7-dioxo-3H-furo[3',2':4,5]cyclopent[1,2-f]oxireno[d]-2-benzo
- 2-Propenoic acid, 3-((3S,3aS,4R,5aR,6R,6aR,9aS,9bR,9cR,10aR)-4-(acetyloxy)-3-(3-furanyl)dodecahydro-6a,9a-dihydroxy-3a,6,8,8,9b-pentamethyl-1,7-dioxo-3H-furo(3',2':4,5)cyclopent(1,2-f)oxireno(d)-2-benzopyran-6-yl)-, methyl ester, (2Z)-
- 12beta-Acetoxyharrisonin
- 81279-34-7
-
- Inchi： 1S/C29H34O12/c1-14(30)38-17-12-16-24(4,10-8-18(31)36-7)27(34)22(33)23(2,3)41-29(27,35)26(16,6)28-20(40-28)21(32)39-19(25(17,28)5)15-9-11-37-13-15/h8-11,13,16-17,19-20,34-35H,12H2,1-7H3/b10-8-/t16-,17-,19+,20-,24-,25+,26-,27+,28-,29+/m1/s1
- InChI Key： HOHMQEBYHJKCEM-BSMXYMBBSA-N
- SMILES： O1[C@@H]2C(=O)O[C@@H](C3=COC=C3)[C@]3(C)[C@@H](C[C@@H]4[C@](/C=C\C(=O)OC)(C)[C@]5(C(C(C)(C)O[C@]5([C@@]4(C)[C@]132)O)=O)O)OC(C)=O
Computed Properties
- Exact Mass: 574.205027
- Monoisotopic Mass: 574.205027
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 41
- Rotatable Bond Count: 6
- Complexity: 1280
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 171
- XLogP3: 1
Experimental Properties
- Density: 1.45
- Boiling Point: 684.4°Cat760mmHg
- Flash Point: 367.7°C
- Refractive Index: 1.607
2-Propenoicacid,3-[(3S,3aS,4R,5aR,6R,6aR,9aS,9bR,9cR,10aS)-4-(acetyloxy)-3-(3-furanyl)dodecahydro-6a,9a-dihydroxy-3a,6,8,8,9b-pentamethyl-1,7-dioxo-3H-furo[3',2':4,5]cyclopent[1,2-f]oxireno[d]-2-benzopyran-6-yl]-,methyl ester, (2Z)- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
81279-34-7 (2-Propenoicacid,3-[(3S,3aS,4R,5aR,6R,6aR,9aS,9bR,9cR,10aS)-4-(acetyloxy)-3-(3-furanyl)dodecahydro-6a,9a-dihydroxy-3a,6,8,8,9b-pentamethyl-1,7-dioxo-3H-furo[3',2':4,5]cyclopent[1,2-f]oxireno[d]-2-benzopyran-6-yl]-,methyl ester, (2Z)-) Related Products
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