| SpectraBase Compound ID | H0TR3utGrXD |
|---|---|
| InChI | InChI=1S/C51H82NO22/c1-21-15-51(65-7,52-16-21)48(64)74-19-29(22(2)54)50(6)13-11-28-27(30(50)20-74)9-8-25-14-26(10-12-49(25,28)5)69-47-43(73-45-39(62)36(59)33(56)23(3)67-45)40(63)41(32(17-53)70-47)71-46-42(37(60)34(57)24(4)68-46)72-44-38(61)35(58)31(55)18-66-44/h8,21,23-24,26-47,52-53,55-63H,9-20H2,1-7H3/t21?,23-,24-,26-,27+,28-,29+,30-,31+,32+,33-,34-,35-,36+,37+,38+,39+,40-,41+,42+,43+,44-,45-,46-,47+,49-,50+,51?/m0/s1 |
| InChIKey | CPDZVEOXMRQTFQ-BYZXFOAHSA-N |
| Mol Weight | 1061.2 g/mol |
| Molecular Formula | C51H82NO22 |
| Exact Mass | 1060.532848 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8AsU5GhtmnH |
|---|---|
| Name | 3-O-BETA-SYCOPHANTETRAOSYL-3-BETA,16-BETA-DIHYDROXY-PREGN-5-EN-20-ONE-16-O-(2,5-EPIMINO-2-METHOXY-4-PENTANOIC-ACID)-ESTER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H82NO22 |
| InChI | InChI=1S/C51H82NO22/c1-21-15-51(65-7,52-16-21)48(64)74-19-29(22(2)54)50(6)13-11-28-27(30(50)20-74)9-8-25-14-26(10-12-49(25,28)5)69-47-43(73-45-39(62)36(59)33(56)23(3)67-45)40(63)41(32(17-53)70-47)71-46-42(37(60)34(57)24(4)68-46)72-44-38(61)35(58)31(55)18-66-44/h8,21,23-24,26-47,52-53,55-63H,9-20H2,1-7H3/t21?,23-,24-,26-,27+,28-,29+,30-,31+,32+,33-,34-,35-,36+,37+,38+,39+,40-,41+,42+,43+,44-,45-,46-,47+,49-,50+,51?/m0/s1 |
| InChIKey | CPDZVEOXMRQTFQ-BYZXFOAHSA-N |
| Literature Reference Author | M.ONO,Y.UENOSONO,H.UMAOKA,Y.SHIONO,T.IKEDA,M.OKAWA,J.KINJO,H .YOSHIMITSZ,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,759(2009) |
| Literature Reference DOI | 10.1248/cpb.57.759 |
| Molecular Weight | 1061.206 g/mol |
| Sample ID | 2805 |
| Solvent | C5D5N |