Cas no 160791-11-7 (Picras-3-ene-2,16-dione,11,20-epoxy-15-[[(3S)-3-ethyl-3-hydroxy-4-methyl-1-oxopentyl]oxy]-1,11,12-trihydroxy-,(1b,11b,12a,15b)-)
![Picras-3-ene-2,16-dione,11,20-epoxy-15-[[(3S)-3-ethyl-3-hydroxy-4-methyl-1-oxopentyl]oxy]-1,11,12-trihydroxy-,(1b,11b,12a,15b)- structure](https://ossimg.kuujia.com/scimg/161000/160791-11-7x500.png)
160791-11-7 structure
Product Name:Picras-3-ene-2,16-dione,11,20-epoxy-15-[[(3S)-3-ethyl-3-hydroxy-4-methyl-1-oxopentyl]oxy]-1,11,12-trihydroxy-,(1b,11b,12a,15b)-
CAS No:160791-11-7
MF:C28H40O10
MW:536.611209869385
CID:217146
PubChem ID:385564
Update Time:2025-04-19
Picras-3-ene-2,16-dione,11,20-epoxy-15-[[(3S)-3-ethyl-3-hydroxy-4-methyl-1-oxopentyl]oxy]-1,11,12-trihydroxy-,(1b,11b,12a,15b)- Chemical and Physical Properties
Names and Identifiers
-
- Picras-3-ene-2,16-dione,11,20-epoxy-15-[[(3S)-3-ethyl-3-hydroxy-4-methyl-1-oxopentyl]oxy]-1,11,12-trihydroxy-,(1b,11b,12a,15b)-
- Peninsularinone
- Picras-3-ene-2,16-dione,11,20-epoxy-15-[[(3S)-3-ethyl-3-hydroxy-4-methyl-1-oxopentyl]oxy]-1,11,12-trihydroxy-,(1b,11b,12a,15b
- (-)-Peninsularinone
- NSC 676836
- DTXSID90327677
- NSC676836
- NCI60_027283
- Picras-3-ene-2, 11,20-epoxy-15-[[(3S)-3-ethyl- 3-hydroxy-4-methyl-1-oxopentyl]oxy]-1,11,12-trihydroxy-, (1.beta.,11.beta.,12.alpha.,15.beta.)-
- CHEMBL553342
- 160791-11-7
- NSC-676836
-
- Inchi： 1S/C28H40O10/c1-7-26(34,12(2)3)10-18(30)38-20-19-14(5)21(31)28(35)24-25(6)15(13(4)8-16(29)22(25)32)9-17(37-23(20)33)27(19,24)11-36-28/h8,12,14-15,17,19-22,24,31-32,34-35H,7,9-11H2,1-6H3/t14-,15+,17-,19-,20-,21-,22-,24-,25-,26+,27+,28+/m1/s1
- InChI Key： YYFUPACSPMCQHM-IAXDHZOFSA-N
- SMILES： O1C[C@@]23[C@H]4C[C@H]5C(C)=CC([C@H]([C@]5(C)[C@H]2[C@@]1([C@@H]([C@H](C)[C@@H]3[C@H](C(=O)O4)OC(C[C@@](CC)(C(C)C)O)=O)O)O)O)=O
Computed Properties
- Exact Mass: 536.262
- Monoisotopic Mass: 536.262
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 38
- Rotatable Bond Count: 6
- Complexity: 1090
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 12
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 160?2
Picras-3-ene-2,16-dione,11,20-epoxy-15-[[(3S)-3-ethyl-3-hydroxy-4-methyl-1-oxopentyl]oxy]-1,11,12-trihydroxy-,(1b,11b,12a,15b)- Related Literature
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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