| SpectraBase Compound ID | 3PH7GZSZc3y |
|---|---|
| InChI | InChI=1S/C52H86N8O12/c1-18-20-37-32(8)50(69)72-43(31(7)19-2)48(67)54-27-40(61)58(14)38(25-29(3)4)46(65)53-28-41(62)60(16)42(30(5)6)49(68)59(15)39(26-35-21-23-36(71-17)24-22-35)47(66)55-33(9)44(63)52(11,12)51(70)57(13)34(10)45(64)56-37/h21-24,29-34,37-39,42-44,63H,18-20,25-28H2,1-17H3,(H,53,65)(H,54,67)(H,55,66)(H,56,64)/t31-,32+,33-,34+,37-,38?,39+,42+,43+,44?/m1/s1 |
| InChIKey | HUPRDMZKCABONH-FRLFLGCYSA-N |
| Mol Weight | 1015.3 g/mol |
| Molecular Formula | C52H86N8O12 |
| Exact Mass | 1014.63652 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4yXbHKt9NXI |
|---|---|
| Name | DIHYDRO-LYNGBYASTATIN-3;MAJOR-REDUCTION-PRODUCT |
| Compound Number | 23 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H86N8O12 |
| InChI | InChI=1S/C52H86N8O12/c1-18-20-37-32(8)50(69)72-43(31(7)19-2)48(67)54-27-40(61)58(14)38(25-29(3)4)46(65)53-28-41(62)60(16)42(30(5)6)49(68)59(15)39(26-35-21-23-36(71-17)24-22-35)47(66)55-33(9)44(63)52(11,12)51(70)57(13)34(10)45(64)56-37/h21-24,29-34,37-39,42-44,63H,18-20,25-28H2,1-17H3,(H,53,65)(H,54,67)(H,55,66)(H,56,64)/t31-,32+,33-,34+,37-,38?,39+,42+,43+,44?/m1/s1 |
| InChIKey | HUPRDMZKCABONH-FRLFLGCYSA-N |
| Literature Reference Author | P.G.WILLIAMS,R.E.MOORE,V.J.PAUL |
| Literature Reference Citation | J.NAT.PROD.,66,1356(2003) |
| Literature Reference DOI | 10.1021/np0302145 |
| Molecular Weight | 1015.301 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP1115 |