Cas no 1618-77-5 (Naphtho[1,2-b]furan-2,8(3H,4H)-dione,3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3R,3aS,5aS,9bR)-)
![Naphtho[1,2-b]furan-2,8(3H,4H)-dione,3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3R,3aS,5aS,9bR)- structure](https://ossimg.kuujia.com/scimg/2000/1618-77-5x500.png)
1618-77-5 structure
Product Name:Naphtho[1,2-b]furan-2,8(3H,4H)-dione,3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3R,3aS,5aS,9bR)-
CAS No:1618-77-5
MF:C15H18O3
MW:246.301624774933
CID:154300
PubChem ID:10857763
Update Time:2025-04-19
Naphtho[1,2-b]furan-2,8(3H,4H)-dione,3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3R,3aS,5aS,9bR)- Chemical and Physical Properties
Names and Identifiers
-
- Naphtho[1,2-b]furan-2,8(3H,4H)-dione,3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3R,3aS,5aS,9bR)-
- (3R)-3aβ,5,5a,9bβ-Tetrahydro-3α,5aα,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione
- (6b,11b)-Santonin
- 6-Epi-11aH-Santonin (7CI)
- 6-Epi-b-santonin
- b-Episantonin
- Eudesma-1,4-dien-12-oic acid, 6b-hydroxy-3-oxo-, g-lactone, (11R)- (8CI)
- Naphtho[1,2-b]furan-2,8(3H,4H)-dione,3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3R-(3a,3ab,5aa,9bb)]-
- Santonin D
- (3R)-3abeta,5,5a,9bbeta-Tetrahydro-3alpha,5aalpha,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione
- 1618-77-5
- (3R,3aS,5aS,9bR)-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
-
- Inchi： 1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10+,13-,15+/m1/s1
- InChI Key： XJHDMGJURBVLLE-RERXCJRKSA-N
- SMILES： O1C([C@H](C)[C@@H]2CC[C@]3(C=CC(C(C)=C3[C@H]12)=O)C)=O
Computed Properties
- Exact Mass: 246.12564
- Monoisotopic Mass: 246.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 500
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 43.4A^2
- XLogP3: 2.3
Experimental Properties
- PSA: 43.37
Naphtho[1,2-b]furan-2,8(3H,4H)-dione,3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3R,3aS,5aS,9bR)- Related Literature
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
1618-77-5 (Naphtho[1,2-b]furan-2,8(3H,4H)-dione,3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3R,3aS,5aS,9bR)-) Related Products
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