| SpectraBase Compound ID | HeONylqQbYQ |
|---|---|
| InChI | InChI=1S/C46H66O16/c1-22(47)55-21-31-35(57-24(3)49)36(58-25(4)50)37(59-26(5)51)40(61-31)60-29-18-28-27(41(6,7)39(29)53)14-15-32-43(10)19-30(56-23(2)48)38(44(43,11)20-33(52)46(28,32)13)45(12)17-16-34(62-45)42(8,9)54/h14,28-32,34-38,40,54H,15-21H2,1-13H3/t28?,29-,30+,31+,32?,34?,35+,36-,37+,38?,40+,43-,44+,45?,46-/m1/s1 |
| InChIKey | VLJZEQZBYYNOBY-PWSYOFAYSA-N |
| Mol Weight | 875.0 g/mol |
| Molecular Formula | C46H66O16 |
| Exact Mass | 874.435086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8T7LKRGvtDa |
|---|---|
| Name | (2beta,9beta,10alpha,16alpha,20XI,24XI)-20,24-EPOXY-2-(beta-D-GLUCOPYRANOSYLOXY)-16,25-DIHYDROXY-9-METHYL-19-NORLANOST-5-ENE-3,11-DIONE PENTACETATE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C46H66O16 |
| InChI | InChI=1S/C46H66O16/c1-22(47)55-21-31-35(57-24(3)49)36(58-25(4)50)37(59-26(5)51)40(61-31)60-29-18-28-27(41(6,7)39(29)53)14-15-32-43(10)19-30(56-23(2)48)38(44(43,11)20-33(52)46(28,32)13)45(12)17-16-34(62-45)42(8,9)54/h14,28-32,34-38,40,54H,15-21H2,1-13H3/t28?,29-,30+,31+,32?,34?,35+,36-,37+,38?,40+,43-,44+,45?,46-/m1/s1 |
| InChIKey | VLJZEQZBYYNOBY-PWSYOFAYSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |