Scabrosin acetate butanoate
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| Category | Others |
| Catalog number | BBF-05054 |
| CAS | 220345-71-1 |
| Molecular Weight | 532.59 |
| Molecular Formula | C24H24N2O8S2 |
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Description
Scabrosin acetate butanoate is an antitumor epidithiapiperazinedione isolated from the lichen Usnea.
Specification
| Synonyms | (1aS,2S,4aR,6aS,6bR,7aS,8S,10aR,12aS,12bR)-8-(Acetyloxy)-1a,2,6a,6b,7a,8,12a,12b-octahydro-5,11-dioxo-5H,11H-4a,10a-epidithio-4H,10H-bisoxireno[g,g']pyrazino[1,2-a:4,5-a']diindol-2-yl butanoate; Butanoic acid, (1aS,2S,4aR,6aS,6bR,7aS,8S,10aR,12aS,12bR)-8-(acetyloxy)-1a,2,6a,6b,7a,8,12a,12b-octahydro-5,11-dioxo-5H,11H-4a,10a-epidithio-4H,10H-bisoxireno[g,g']pyrazino[1,2-a:4,5-a']diindol-2-yl ester; Ambewelamide A |
| IUPAC Name | [(1R,4S,5R,7S,8S,12R,15S,16R,18S,19S)-19-acetyloxy-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.01,14.03,12.04,10.05,7.015,21.016,18]tetracosa-9,20-dien-8-yl] butanoate |
| Canonical SMILES | CCCC(=O)OC1C=C2CC34C(=O)N5C6C7C(O7)C(C=C6CC5(C(=O)N3C2C8C1O8)SS4)OC(=O)C |
| InChI | InChI=1S/C24H24N2O8S2/c1-3-4-14(28)32-13-6-11-8-24-22(30)25-15-10(5-12(31-9(2)27)17-19(15)33-17)7-23(25,35-36-24)21(29)26(24)16(11)20-18(13)34-20/h5-6,12-13,15-20H,3-4,7-8H2,1-2H3/t12-,13-,15-,16-,17-,18-,19+,20+,23+,24+/m0/s1 |
| InChI Key | OBYDDBDJKUQGLS-BIQXIOCUSA-N |
Properties
| Antibiotic Activity Spectrum | neoplastics (Tumor) |
| Boiling Point | 364.5±42.0°C (Predicted) |
| Density | 1.68±0.1 g/cm3 (Predicted) |
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
