Cas no 22149-49-1 (Limonoate A-ring-lactone)
Limonoate A-ring-lactone structure
Product Name:Limonoate A-ring-lactone
CAS No:22149-49-1
MF:C26H32O9
MW:488.526888847351
CID:281254
Update Time:2024-02-29
Limonoate A-ring-lactone Chemical and Physical Properties
Names and Identifiers
-
- Spiro[9H,11H-naphtho[1',2':3,4]furo[3,2-c]pyran-5(2H),2'-oxirane]-3'-carboxylicacid, 6-[(S)-3-furanylhydroxymethyl]decahydro-2,2,4a,6-tetramethyl-4,11-dioxo-,(2'R,2aR,3'S,4aR,6S,8aR,8bR,12aS)-
- Spiro[9H,11H-naphtho[1',2':3,4]furo[3,2-c]pyran-5(2H),2'-oxirane]-3'-carboxylicacid, 6-[(S)-3-furanylhydroxymethyl]decahydro-
- Limonoic acid A-ring lactone
- Limonoicacid, 3,19-lactone
- Spiro[9H,11H-naphtho[1',2':3,4]furo[3,2-c]pyran-5(2H),2'-oxirane]-3'-carboxylicacid, 6-(3-furanylhydroxymethyl)decahydro-2,2,4a,6-tetramethyl-4,11-dioxo-,[2aR-[2aa,4ab,5b(S*),6b(S*),8aa,8bR*,
- Spiro[9H,11H-naphtho[1',2':3,4]furo[3,2-c]pyran-5(2H),2'-oxirane]-3'-carboxylicacid, 6a-(3-furylhydroxymethyl)-2ab,3,4,4a,6,7,8,8ab,12,12ab-decahydro-2,2,4aa,6-tetramethyl-4,11-dioxo- (8CI)
- Limonoate A-ring-lactone
- C16718
- Q27149722
-
- Inchi： 1S/C26H32O9/c1-22(2)15-9-16(27)24(4)14(25(15)12-33-18(28)10-17(25)34-22)5-7-23(3,19(29)13-6-8-32-11-13)26(24)20(35-26)21(30)31/h6,8,11,14-15,17,19-20,29H,5,7,9-10,12H2,1-4H3,(H,30,31)/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1
- InChI Key： JQTDUZWQZNXSOU-MSGMIQHVSA-N
- SMILES： O1[C@H](C(=O)O)[C@@]21[C@](C)([C@H](C1=COC=C1)O)CC[C@@H]1[C@@]34COC(C[C@@H]3OC(C)(C)[C@@H]4CC([C@@]21C)=O)=O
Computed Properties
- Exact Mass: 488.205
- Monoisotopic Mass: 488.205
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 35
- Rotatable Bond Count: 3
- Complexity: 993
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 136
Limonoate A-ring-lactone Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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