Cas no 103630-27-9 (Picras-3-ene-2,16-dione,11,20-epoxy-1,11,12,13,21-pentahydroxy-, (1b,11b,12a)- (9CI))
103630-27-9 structure
Product Name:Picras-3-ene-2,16-dione,11,20-epoxy-1,11,12,13,21-pentahydroxy-, (1b,11b,12a)- (9CI)
CAS No:103630-27-9
MF:C20H26O9
MW:410.415047168732
CID:155189
PubChem ID:162998504
Update Time:2025-04-19
Picras-3-ene-2,16-dione,11,20-epoxy-1,11,12,13,21-pentahydroxy-, (1b,11b,12a)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Picras-3-ene-2,16-dione,11,20-epoxy-1,11,12,13,21-pentahydroxy-, (1b,11b,12a)- (9CI)
- 2H-1,11c-(Epoxymethano)phenanthro[10,1-bc]pyran,picras-3-ene-2,16-dione deriv.
- Shinjulactone M
- 103630-27-9
- E88697
- CS-0435531
- HY-N10368
-
- Inchi： 1S/C20H26O9/c1-8-3-10(22)14(24)17(2)9(8)4-12-18-7-28-20(27,15(17)18)16(25)19(26,6-21)11(18)5-13(23)29-12/h3,9,11-12,14-16,21,24-27H,4-7H2,1-2H3/t9-,11+,12+,14+,15+,16+,17+,18+,19-,20+/m0/s1
- InChI Key： OYZBTNYPQVEPOO-KFAZELOMSA-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@](CO)([C@@H]3CC(=O)O4)O)O)O)O)=O
Computed Properties
- Exact Mass: 272.08309
- Monoisotopic Mass: 410.15768240g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 29
- Rotatable Bond Count: 1
- Complexity: 840
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.1
- Topological Polar Surface Area: 154?2
Experimental Properties
- PSA: 52.54
Picras-3-ene-2,16-dione,11,20-epoxy-1,11,12,13,21-pentahydroxy-, (1b,11b,12a)- (9CI) Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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