| SpectraBase Compound ID | 4l4azTqeAJ7 |
|---|---|
| InChI | InChI=1S/C63H102O34/c1-21(20-85-56-47(80)43(76)38(71)31(14-64)88-56)5-8-28-22(2)37-30(86-28)12-26-24-7-6-23-11-29(27(70)13-63(23,4)25(24)9-10-62(26,37)3)87-57-50(83)46(79)52(36(19-69)93-57)94-61-55(54(42(75)35(18-68)92-61)96-59-49(82)45(78)40(73)33(16-66)90-59)97-60-51(84)53(41(74)34(17-67)91-60)95-58-48(81)44(77)39(72)32(15-65)89-58/h6,21,24-27,29-61,64-84H,5,7-20H2,1-4H3/t21-,24-,25+,26+,27-,29-,30+,31-,32-,33+,34-,35-,36+,37+,38-,39-,40+,41-,42-,43+,44+,45-,46+,47-,48-,49+,50+,51-,52-,53+,54+,55-,56-,57+,58+,59-,60+,61+,62?,63?/m1/s1 |
| InChIKey | SMGUAECQJBYYID-BNHBWIOLSA-N |
| Mol Weight | 1403.5 g/mol |
| Molecular Formula | C63H102O34 |
| Exact Mass | 1402.62525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5C16JLobfTI |
|---|---|
| Name | #67;CAPSICOSIDE-F;26-O-BETA-D-GLUCOPYRANOSYL-2-ALPHA,3-BETA,26-TRIHYDROXY-(25R)-5-ALPHA-FUROSTAN-20(22)-ENE-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H102O34 |
| InChI | InChI=1S/C63H102O34/c1-21(20-85-56-47(80)43(76)38(71)31(14-64)88-56)5-8-28-22(2)37-30(86-28)12-26-24-7-6-23-11-29(27(70)13-63(23,4)25(24)9-10-62(26,37)3)87-57-50(83)46(79)52(36(19-69)93-57)94-61-55(54(42(75)35(18-68)92-61)96-59-49(82)45(78)40(73)33(16-66)90-59)97-60-51(84)53(41(74)34(17-67)91-60)95-58-48(81)44(77)39(72)32(15-65)89-58/h6,21,24-27,29-61,64-84H,5,7-20H2,1-4H3/t21-,24-,25+,26+,27-,29-,30+,31-,32-,33+,34-,35-,36+,37+,38-,39-,40+,41-,42-,43+,44+,45-,46+,47-,48-,49+,50+,51-,52-,53+,54+,55-,56-,57+,58+,59-,60+,61+,62?,63?/m1/s1 |
| InChIKey | SMGUAECQJBYYID-BNHBWIOLSA-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 | 1403.482 g/mol |
| Sample ID | 968812 |
| Solvent | C5D5N:D2O |