| SpectraBase Compound ID | 9cijp6wY2JM |
|---|---|
| InChI | InChI=1S/C51H82O24/c1-19(18-67-46-41(64)37(60)34(57)28(14-52)70-46)5-8-26-20(2)33-27(69-26)12-25-23-7-6-21-11-22(9-10-50(21,3)24(23)13-32(56)51(25,33)4)68-47-43(66)40(63)44(31(17-55)73-47)74-49-45(39(62)36(59)30(16-54)72-49)75-48-42(65)38(61)35(58)29(15-53)71-48/h19,21-25,27-31,33-49,52-55,57-66H,5-18H2,1-4H3/t19-,21+,22+,23-,24+,25+,27+,28-,29+,30+,31-,33+,34-,35-,36+,37+,38-,39-,40-,41-,42+,43-,44+,45+,46-,47-,48-,49-,50?,51?/m1/s1 |
| InChIKey | TVRRDUXJKROMDX-ORWZFVPKSA-N |
| Mol Weight | 1079.2 g/mol |
| Molecular Formula | C51H82O24 |
| Exact Mass | 1078.519603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7cvoQSN63xS |
|---|---|
| Name | #65;TERRESTROSIN-K;26-O-BETA-D-GLUCOPYRANOSYL-3-BETA,26-DIHYDROXY-(25R)-5-ALPHA-FUROST-20(22)-EN-12-ONE-3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOS |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H82O24 |
| InChI | InChI=1S/C51H82O24/c1-19(18-67-46-41(64)37(60)34(57)28(14-52)70-46)5-8-26-20(2)33-27(69-26)12-25-23-7-6-21-11-22(9-10-50(21,3)24(23)13-32(56)51(25,33)4)68-47-43(66)40(63)44(31(17-55)73-47)74-49-45(39(62)36(59)30(16-54)72-49)75-48-42(65)38(61)35(58)29(15-53)71-48/h19,21-25,27-31,33-49,52-55,57-66H,5-18H2,1-4H3/t19-,21+,22+,23-,24+,25+,27+,28-,29+,30+,31-,33+,34-,35-,36+,37+,38-,39-,40-,41-,42+,43-,44+,45+,46-,47-,48-,49-,50?,51?/m1/s1 |
| InChIKey | TVRRDUXJKROMDX-ORWZFVPKSA-N |
| Literature Reference Author | P.K.AGRAWAL |
| Literature Reference Citation | STEROIDS,70,715(2005) |
| Literature Reference DOI | 10.1016/j.steroids.2005.04.001 |
| Molecular Weight | 1079.198 g/mol |
| Sample ID | 968810 |
| Solvent | C5D5N |