Cas no 84062-60-2 ( )
structure
Product Name:
CAS No:84062-60-2
MF:C22H28O9
MW:436.452327728271
CID:882251
PubChem ID:158475
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 5H-1,11c.β.-(Epoxymethano)phenanthro[10,1-bc]pyran-5,10(6a.β.H)-dione,1,2,3,3a.β.,4,7,7a.α.,11,11a,11b.α.-decahydro-1.α.,2.α.,4.β.,11.β.-tetrahydroxy-3.α.,8,11a.β.-trimethyl-, 4-acetate
- NSC126765
- 1W45S57JD6
- 84062-60-2
- Holacanthone
- 2H-1,11c-beta-(Epoxymethano)-phenanthro(10,1-bc)pyran-5,10(3H,6a-beta-H)-dione, 1,3a-beta,4,7,7a-alpha,11,11a,11b-octahydro-1-alpha,2-alpha,4-beta,11-beta-tetrahydroxy-3-alpha,18,11a-beta-trimethyl-, 4-acetate
- Picras-3-ene-2,16-dione, 15-(acetyloxy)-11,20-epoxy-1,11,12-trihydroxy-
- CHEMBL458908
- DTXSID201318012
- UNII-1W45S57JD6
- NCI60_000614
- 5H-1,1-bc]pyran-5,10(6a.beta.H)-dione,1,2,3,3a.beta.,4,7,7a.alpha.,11,11a,11b.alpha.-decahydro-1.alpha.,2.alpha.,4.beta.,11.beta.-tetrahydroxy-3.alpha.,8,11a.beta.-trimethyl-, 4-acetate
- PICRAS-3-ENE-2,16-DIONE, 15-(ACETYLOXY)-11,20-EPOXY-1,11,12-TRIHYDROXY-, (1.BETA.,11.BETA.,12.ALPHA.,15.BETA.)-
- Acetyl-glaucarubulone
- BRN 5461864
- (1.BETA.,11.BETA.,12.ALPHA.,15.BETA.)-15-(ACETYLOXY)-11,20-EPOXY-1,11,12-TRIHYDROXYPICRAS-3-ENE-2,16-DIONE
- NSC-126765
- [(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] acetate
- B633407K028
-
-
- Inchi： 1S/C22H28O9/c1-8-5-12(24)17(26)20(4)11(8)6-13-21-7-29-22(28,19(20)21)16(25)9(2)14(21)15(18(27)31-13)30-10(3)23/h5,9,11,13-17,19,25-26,28H,6-7H2,1-4H3/t9-,11+,13-,14-,15-,16-,17-,19-,20-,21+,22+/m1/s1
- InChI Key： OFHVBIQKCNMHKC-FJSLBGAUSA-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)=O)O)O)O)=O
Computed Properties
- Exact Mass: 436.17333247g/mol
- Monoisotopic Mass: 436.17333247g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 31
- Rotatable Bond Count: 2
- Complexity: 913
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 11
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.3
- Topological Polar Surface Area: 140?2
Related Literature
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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