Cas no 108050-27-7 (1H-Cycloundec[d]isoindol-1-one,15-(acetyloxy)-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-5,6,12-trihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-,(3S,3aR,4S,5S,6S,6aR,7E,10S,12R,13E,15R,15aR)-)
![1H-Cycloundec[d]isoindol-1-one,15-(acetyloxy)-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-5,6,12-trihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-,(3S,3aR,4S,5S,6S,6aR,7E,10S,12R,13E,15R,15aR)- structure](https://ossimg.kuujia.com/scimg/108500/108050-27-7x500.png)
108050-27-7 structure
Product Name:1H-Cycloundec[d]isoindol-1-one,15-(acetyloxy)-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-5,6,12-trihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-,(3S,3aR,4S,5S,6S,6aR,7E,10S,12R,13E,15R,15aR)-
CAS No:108050-27-7
MF:C30H41NO6
MW:511.649649381638
CID:159124
PubChem ID:13892289
Update Time:2025-04-19
1H-Cycloundec[d]isoindol-1-one,15-(acetyloxy)-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-5,6,12-trihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-,(3S,3aR,4S,5S,6S,6aR,7E,10S,12R,13E,15R,15aR)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Cycloundec[d]isoindol-1-one,15-(acetyloxy)-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-5,6,12-trihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-,(3S,3aR,4S,5S,6S,6aR,7E,10S,12R,13E,15R,15aR)-
- 1H-Cycloundec[d]isoindol-1-one,15-(acetyloxy)-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-5,6,12...
- 1H-Cycloundec[d]isoindol-1-one,15-(acetyloxy)-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-5,6,12-trihydroxy-4,5,10,12-tetrameth
- Cytochalasin Ppho
- CYTOCHALASINP
- (6S,7S,13E,16S,18R,19E,21R)-21-Acetyloxy-6,7,18-trihydroxy-16,18-dimethyl-10-phenyl[11]cytochalasa-13,19-dien-1-one
- 1H-CYCLOUNDEC(D)ISOINDOL-1-ONE, 15-(ACETYLOXY)-2,3,3A,4,5,6,6A,9,10,11,12,15-DODECAHYDRO-5,6,12-TRIHYDROXY-4,5,10,12-TETRAMETHYL-3-(PHENYLMETHYL)-, (3S,3AR,4S,5S,6S,6AR,7E,10S,12R,13E,15R,15AR)-
- 1H-Cycloundec(d)isoindol-1-one, 15-(acetyloxy)-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-5,6,12-trihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-, (3S-(3R*,3aS*,4R*,5R*,6R*,6aS*,7E,10R*,12S*,13E,15S*,15aS*))-
- UNII-WQ5B4204W8
- CHEBI:187651
- CHEMBL3211677
- Q27292771
- WQ5B4204W8
- [(1R,2R,3E,5R,7S,9E,11R,12S,13S,14S,15R,16S)-16-benzyl-5,12,13-trihydroxy-5,7,13,14-tetramethyl-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate
- cytochalasin p
- 1H-Cycloundec(d)isoindol-1-one, 15-(acetyloxy)-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-5,6,12-trihydroxy-4,5,10,12- tetramethyl-3-(phenylmethyl)-, (3S,3aR,4S,5S,6S,6aR,7E,10S,12R,13E,15R,15aR)-
- SMR000470862
- MLS000563205
- 108050-27-7
- SCHEMBL33778
- (11)Cytochalasa-13,19-dien-1-one, 21-(acetyloxy)-6,7,18-trihydroxy-16,18-dimethyl-10-phenyl-, (6S,7S,13E,16S,18R,19E,21R)-
-
- Inchi： 1S/C30H41NO6/c1-18-10-9-13-22-26(33)29(5,36)19(2)25-23(16-21-11-7-6-8-12-21)31-27(34)30(22,25)24(37-20(3)32)14-15-28(4,35)17-18/h6-9,11-15,18-19,22-26,33,35-36H,10,16-17H2,1-5H3,(H,31,34)/b13-9+,15-14+/t18-,19-,22-,23-,24+,25-,26-,28-,29-,30+/m0/s1
- InChI Key： AVASIWUXPVFFGK-WRERFMELSA-N
- SMILES： O[C@]1(C)[C@H]([C@@H]2C=CC[C@H](C)C[C@](C)(C=C[C@H]([C@@]32C(N[C@@H](CC2C=CC=CC=2)[C@@H]3[C@@H]1C)=O)OC(C)=O)O)O |t:5,13|
Computed Properties
- Exact Mass: 511.293388
- Monoisotopic Mass: 511.293388
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 37
- Rotatable Bond Count: 4
- Complexity: 927
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 10
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 116
- XLogP3: 2.9
Experimental Properties
- Density: 1.23
- Boiling Point: 678.9°Cat760mmHg
- Flash Point: 364.4°C
- Refractive Index: 1.597
- PSA: 119.58000
- LogP: 3.20880
1H-Cycloundec[d]isoindol-1-one,15-(acetyloxy)-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-5,6,12-trihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-,(3S,3aR,4S,5S,6S,6aR,7E,10S,12R,13E,15R,15aR)- Related Literature
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4. Metabolites of the higher fungi. Part 24. Cytochalasin N, O, P, Q, and R. New cytochalasins from the fungus Hypoxylon terricola MillRaymond L. Edwards,Derek J. Maitland,Anthony J. S. Whalley J. Chem. Soc. Perkin Trans. 1 1989 57
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