| SpectraBase Compound ID | D0p1Dl5J3Hz |
|---|---|
| InChI | InChI=1S/C50H82N8O11/c1-17-30(7)41-46(65)52-26-38(59)56(14)36(24-28(3)4)44(63)51-27-39(60)58(16)40(29(5)6)47(66)57(15)37(25-34-22-20-19-21-23-34)45(64)53-32(9)42(61)50(11,12)49(68)55(13)33(10)43(62)54-35(18-2)31(8)48(67)69-41/h19-23,28-33,35-37,40-42,61H,17-18,24-27H2,1-16H3,(H,51,63)(H,52,65)(H,53,64)(H,54,62)/t30-,31+,32-,33+,35-,36?,37+,40+,41+,42?/m1/s1 |
| InChIKey | JSVPOWADOBABPE-OTOSNFFXSA-N |
| Mol Weight | 971.3 g/mol |
| Molecular Formula | C50H82N8O11 |
| Exact Mass | 970.610305 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Gd0OZbyMjp |
|---|---|
| Name | DIHYDRO-DOLASTATIN-12;MAJOR-REDUCTION-PRODUCT |
| Compound Number | 27 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H82N8O11 |
| InChI | InChI=1S/C50H82N8O11/c1-17-30(7)41-46(65)52-26-38(59)56(14)36(24-28(3)4)44(63)51-27-39(60)58(16)40(29(5)6)47(66)57(15)37(25-34-22-20-19-21-23-34)45(64)53-32(9)42(61)50(11,12)49(68)55(13)33(10)43(62)54-35(18-2)31(8)48(67)69-41/h19-23,28-33,35-37,40-42,61H,17-18,24-27H2,1-16H3,(H,51,63)(H,52,65)(H,53,64)(H,54,62)/t30-,31+,32-,33+,35-,36?,37+,40+,41+,42?/m1/s1 |
| InChIKey | JSVPOWADOBABPE-OTOSNFFXSA-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 | 971.248 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP1116 |