| SpectraBase Compound ID | Ez9ECzWjmx9 |
|---|---|
| InChI | InChI=1S/C72H104N14O20/c1-29(2)19-45-57(91)81-53(35(13)87)63(97)83-49(61(95)79-51(31(5)6)67(101)105-55(33(9)10)65(99)85-47(59(93)75-45)23-39(89)27-73-85)25-71(103)41-21-37(15-17-43(41)77-69(71)83)38-16-18-44-42(22-38)72(104)26-50-62(96)80-52(32(7)8)68(102)106-56(34(11)12)66(100)86-48(24-40(90)28-74-86)60(94)76-46(20-30(3)4)58(92)82-54(36(14)88)64(98)84(50)70(72)78-44/h15-18,21-22,29-36,39-40,45-56,69-70,73-74,77-78,87-90,103-104H,19-20,23-28H2,1-14H3,(H,75,93)(H,76,94)(H,79,95)(H,80,96)(H,81,91)(H,82,92)/t35?,36?,39-,40-,45+,46+,47-,48?,49-,50-,51-,52-,53-,54-,55+,56+,69+,70+,71-,72-/m1/s1 |
| InChIKey | OZPNLJQULOIOGU-YTFHNDQLSA-N |
| Mol Weight | 1485.7 g/mol |
| Molecular Formula | C72H104N14O20 |
| Exact Mass | 1484.755132 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6GdB0I45Mqs |
|---|---|
| Name | HIRMASTATIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H104N14O20 |
| InChI | InChI=1S/C72H104N14O20/c1-29(2)19-45-57(91)81-53(35(13)87)63(97)83-49(61(95)79-51(31(5)6)67(101)105-55(33(9)10)65(99)85-47(59(93)75-45)23-39(89)27-73-85)25-71(103)41-21-37(15-17-43(41)77-69(71)83)38-16-18-44-42(22-38)72(104)26-50-62(96)80-52(32(7)8)68(102)106-56(34(11)12)66(100)86-48(24-40(90)28-74-86)60(94)76-46(20-30(3)4)58(92)82-54(36(14)88)64(98)84(50)70(72)78-44/h15-18,21-22,29-36,39-40,45-56,69-70,73-74,77-78,87-90,103-104H,19-20,23-28H2,1-14H3,(H,75,93)(H,76,94)(H,79,95)(H,80,96)(H,81,91)(H,82,92)/t35?,36?,39-,40-,45+,46+,47-,48?,49-,50-,51-,52-,53-,54-,55+,56+,69+,70+,71-,72-/m1/s1 |
| InChIKey | OZPNLJQULOIOGU-YTFHNDQLSA-N |
| Literature Reference Author | J.E.LEET,D.R.SCHROEDER,J.GOLIK,J.A.MATSON,T.W.DOYLE,K.S.LAM, S.E.HILL,M.S.LEE,J.L |
| Literature Reference Citation | J.ANTIBIOTICS,49,299(1996) |
| Literature Reference DOI | 10.7164/antibiotics.49.299 |
| Molecular Weight | 1485.700 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS24320 |