Compounds
COMPOUND NPA016690
PROPERTIES
| NPAID | NPA016690 |
|---|---|
| CLUSTER ID | 5680 |
| NODE ID | 4024 |
| NAME | Paclitaxel |
| FORMULA | C47H51NO14 |
| MOLECULAR WEIGHT (Da) | 853.9180 |
| ACCURATE MASS (Da) | 853.3310 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. |
| InChIKey | RCINICONZNJXQF-VAZQATRQSA-N |
| InChI | InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38?,40-,45+,46-,47+/m0/s1 |
| SMILES | CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Stierle, Andrea; Strobel, Gary; Stierle, Donald; Grothaus, Paul; Bignami, Gary The Search for a Taxol-Producing Microorganism Among the Endophytic Fungi of the Pacific Yew, Taxus brevifolia Journal of Natural Products 1995 58 (9) 1315-1324. | ||
|---|---|---|---|
| DOI | 10.1021/np50123a002 | PMID | - |
