Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024306
PROPERTIES
| NPAID | NPA024306 |
|---|---|
| CLUSTER ID | 7434 |
| NODE ID | 546 |
| NAME | Jahanane |
| FORMULA | C60H98N8O9 |
| MOLECULAR WEIGHT (Da) | 1075.4910 |
| ACCURATE MASS (Da) | 1074.7457 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Okeania |
| ORIGIN SPECIES | sp. |
| InChIKey | YXLLSDGWDOATCZ-CMRAMGONSA-N |
| InChI | InChI=1S/C60H98N8O9/c1-17-18-19-21-27-41(8)36-42(9)53(70)61(12)43(10)54(71)67-34-25-31-47(67)55(72)63(14)51(39(4)5)59(76)65(16)52(40(6)7)60(77)64(15)50(38(2)3)58(75)62(13)49(37-45-28-22-20-23-29-45)57(74)68-35-26-32-48(68)56(73)66-33-24-30-46(66)44(11)69/h20,22-23,28-29,38-43,46-52H,17-19,21,24-27,30-37H2,1-16H3/t41-,42+,43-,46-,47-,48-,49-,50-,51-,52-/m0/s1 |
| SMILES | CCCCCC[C@H](C)C[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Iwasaki, Arihiro; Fujimura, Haruka; Okamoto, Shinichiro; Kudo, Takafumi; Hoshina, Shizuka; Sumimoto, Shimpei; Teruya, Toshiaki; Suenaga, Kiyotake Isolation of Jahanene and Jahanane, and Total Synthesis of the Jahanyne Family Journal of Organic Chemistry 2018 83 (17) 9592-9603. | ||
|---|---|---|---|
| DOI | 10.1021/acs.joc.8b00310 | PMID | 30101588 |
SYNTHESES
| CITATION 1 | Iwasaki, Arihiro; Fujimura, Haruka; Okamoto, Shinichiro; Kudo, Takafumi; Hoshina, Shizuka; Sumimoto, Shimpei; Teruya, Toshiaki; Suenaga, Kiyotake Isolation of Jahanene and Jahanane, and Total Synthesis of the Jahanyne Family Journal of Organic Chemistry 2018 83 (17) 9592-9603. DOI: 10.1021/acs.joc.8b00310 PMID: 30101588 | ||
|---|---|---|---|
