| SpectraBase Compound ID | KMYWqQbFNrr |
|---|---|
| InChI | InChI=1S/C62H99N11O24/c1-8-10-11-12-13-14-15-16-17-18-40(78)49(82)60(93)71-46(31(4)76)57(90)72-47-32(5)95-61(94)38(24-26-43(64)80)68-59(92)48(33(6)96-62-52(85)51(84)50(83)41(29-74)97-62)73(7)44(81)28-65-53(86)37(23-25-42(63)79)67-54(87)36(9-2)66-55(88)39(27-34-19-21-35(77)22-20-34)69-56(89)45(30(3)75)70-58(47)91/h9,19-22,30-33,37-41,45-52,62,74-78,82-85H,8,10-18,23-29H2,1-7H3,(H2,63,79)(H2,64,80)(H,65,86)(H,66,88)(H,67,87)(H,68,92)(H,69,89)(H,70,91)(H,71,93)(H,72,90)/b36-9-/t30?,31?,32?,33?,37?,38?,39-,40?,41-,45?,46?,47?,48?,49?,50-,51+,52+,62-/m1/s1 |
| InChIKey | TZKSEIAJQMPEJX-AQUOXTFPSA-N |
| Mol Weight | 1382.5 g/mol |
| Molecular Formula | C62H99N11O24 |
| Exact Mass | 1381.686443 g/mol |
15N Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LIUyawYNykS |
|---|---|
| Name | HASSALLIDIN_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H99N11O24 |
| InChI | InChI=1S/C62H99N11O24/c1-8-10-11-12-13-14-15-16-17-18-40(78)49(82)60(93)71-46(31(4)76)57(90)72-47-32(5)95-61(94)38(24-26-43(64)80)68-59(92)48(33(6)96-62-52(85)51(84)50(83)41(29-74)97-62)73(7)44(81)28-65-53(86)37(23-25-42(63)79)67-54(87)36(9-2)66-55(88)39(27-34-19-21-35(77)22-20-34)69-56(89)45(30(3)75)70-58(47)91/h9,19-22,30-33,37-41,45-52,62,74-78,82-85H,8,10-18,23-29H2,1-7H3,(H2,63,79)(H2,64,80)(H,65,86)(H,66,88)(H,67,87)(H,68,92)(H,69,89)(H,70,91)(H,71,93)(H,72,90)/b36-9-/t30?,31?,32?,33?,37?,38?,39-,40?,41-,45?,46?,47?,48?,49?,50-,51+,52+,62-/m1/s1 |
| InChIKey | TZKSEIAJQMPEJX-AQUOXTFPSA-N |
| Literature Reference Author | T.NEUHOF,P.SCHMIEDER,K.PREUSSEL,R.DIECKMANN,H.PHAM,F.BARTL,H .V.DOEHREN |
| Literature Reference Citation | J.NAT.PROD.,68,695(2005) |
| Literature Reference DOI | 10.1021/np049671r |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ10020 |