| SpectraBase Compound ID | gmRXxaU8r |
|---|---|
| InChI | InChI=1S/C50H82O23/c1-5-20(2)6-7-21(15-51)25-14-26(55)32-22-8-9-24-33(57)28(11-13-49(24,3)23(22)10-12-50(25,32)4)67-47-41(65)43(42(31(18-54)70-47)71-45-39(63)37(61)35(59)29(16-52)68-45)72-48-44(34(58)27(56)19-66-48)73-46-40(64)38(62)36(60)30(17-53)69-46/h6-7,9,20-23,25-48,51-65H,5,8,10-19H2,1-4H3/b7-6+/t20?,21-,22+,23-,25?,26-,27-,28-,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39-,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+/m0/s1 |
| InChIKey | NAUDNRAFXLZZSU-YSJXYLANSA-N |
| Mol Weight | 1051.2 g/mol |
| Molecular Formula | C50H82O23 |
| Exact Mass | 1050.524689 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1J1qlUIckDP |
|---|---|
| Name | MYCALOSIDE-B;27-NOR-MYCALOSIDE-A |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H82O23 |
| InChI | InChI=1S/C50H82O23/c1-5-20(2)6-7-21(15-51)25-14-26(55)32-22-8-9-24-33(57)28(11-13-49(24,3)23(22)10-12-50(25,32)4)67-47-41(65)43(42(31(18-54)70-47)71-45-39(63)37(61)35(59)29(16-52)68-45)72-48-44(34(58)27(56)19-66-48)73-46-40(64)38(62)36(60)30(17-53)69-46/h6-7,9,20-23,25-48,51-65H,5,8,10-19H2,1-4H3/b7-6+/t20?,21-,22+,23-,25?,26-,27-,28-,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39-,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+/m0/s1 |
| InChIKey | NAUDNRAFXLZZSU-YSJXYLANSA-N |
| Literature Reference Author | A.S.ANTONOV,S.S.AFIYATULLOV,A.I.KALINOVSKY,L.P.PONOMARENKO,P .S.DMITRENOK,D.L.AMI |
| Literature Reference Citation | J.NAT.PROD.,66,1082(2003) |
| Literature Reference DOI | 10.1021/np0300030 |
| Molecular Weight | 1051.187 g/mol |
| Solvent | C5D5N:CD3OD=19:1 |
| Source File Reference | UWSP162 |