Cas no 64185-26-8 ((Z)-2-Methyl-2-butenoic acid [(2aS)-2a,3,4,5,5aβ,6,9bβ,9c-octahydro-9,9cβ-dimethyl-2-oxo-2H-naphtho[1,8-bc:3,2-b']difuran-6β-yl] ester)
![(Z)-2-Methyl-2-butenoic acid [(2aS)-2a,3,4,5,5aβ,6,9bβ,9c-octahydro-9,9cβ-dimethyl-2-oxo-2H-naphtho[1,8-bc:3,2-b']difuran-6β-yl] ester structure](https://ossimg.kuujia.com/scimg/64500/64185-26-8x500.png)
64185-26-8 structure
Product Name:(Z)-2-Methyl-2-butenoic acid [(2aS)-2a,3,4,5,5aβ,6,9bβ,9c-octahydro-9,9cβ-dimethyl-2-oxo-2H-naphtho[1,8-bc:3,2-b']difuran-6β-yl] ester
CAS No:64185-26-8
MF:C20H24O5
MW:344.401566505432
CID:526526
Update Time:2024-03-01
(Z)-2-Methyl-2-butenoic acid [(2aS)-2a,3,4,5,5aβ,6,9bβ,9c-octahydro-9,9cβ-dimethyl-2-oxo-2H-naphtho[1,8-bc:3,2-b']difuran-6β-yl] ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid,2-methyl-,(2aS,5aS,6R,9bR,9cS)-2a,3,4,5,5a,6,9b,9c-octahydro-9,9c-dimethyl-2-oxo-2H-naphtho[1,8-bc:3,2-b']difuran-6-ylester, (2Z)- (9CI)
- (Z)-2-Methyl-2-butenoic acid [(2aS)-2a,3,4,5,5aβ,6,9bβ,9c-octahydro-9,9cβ-dimethyl-2-oxo-2H-naphtho[1,8-bc:3,2-b']difuran-6β-yl] ester
- 2-Butenoicacid, 2-methyl-,2a,3,4,5,5a,6,9b,9c-octahydro-9,9c-dimethyl-2-oxo-2H-naphtho[1,8-bc:3,2-b']difuran-6-ylester, [2aS-[2aa,5ab,6b(Z),9bb,9cb]]-
- 2H-Naphtho[1,8-bc:3,2-b']difuran, 2-butenoic acid deriv.
- Ligucalthaefolin
- CID 101316989
- 2-Butenoic acid, 2-methyl-, (2aS,5aS,6R,9bR,9cS)-2a,3,4,5,5a,6,9b,9c-octahydro-9,9c-dimethyl-2-oxo-2H-naphtho[1,8-bc:3,2-b']difuran-6-yl ester, (2Z)- (9CI)
-
- Inchi： 1S/C20H24O5/c1-5-10(2)18(21)24-15-12-7-6-8-13-19(22)25-17(20(12,13)4)14-11(3)9-23-16(14)15/h5,9,12-13,15,17H,6-8H2,1-4H3/b10-5-/t12-,13-,15-,17+,20+/m1/s1
- InChI Key： DEFMCBVSKBZNPH-NGNSUVOISA-N
- SMILES： O1C([C@H]2CCC[C@@H]3[C@H](C4=C(C(C)=CO4)[C@H]1[C@@]32C)OC(/C(=C\C)/C)=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 3
- Complexity: 626
- Topological Polar Surface Area: 65.7
- XLogP3: 3.13
(Z)-2-Methyl-2-butenoic acid [(2aS)-2a,3,4,5,5aβ,6,9bβ,9c-octahydro-9,9cβ-dimethyl-2-oxo-2H-naphtho[1,8-bc:3,2-b']difuran-6β-yl] ester Related Literature
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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