| SpectraBase Compound ID | G6qmNfJucRq |
|---|---|
| InChI | InChI=1S/C73H124O35/c1-13-18-24-27-40(28-25-22-20-19-21-23-26-29-45(77)92-12)96-71-60(52(84)46(78)38(10)94-71)106-73-62(108-72-63(104-67(91)37(9)17-5)61(56(39(11)95-72)101-64(88)34(6)14-2)107-69-54(86)51(83)48(80)42(31-75)98-69)58(49(81)43(32-76)99-73)105-70-55(87)59(103-66(90)36(8)16-4)57(102-65(89)35(7)15-3)44(100-70)33-93-68-53(85)50(82)47(79)41(30-74)97-68/h14,35-44,46-63,68-76,78-87H,13,15-33H2,1-12H3/b34-14+/t35-,36-,37-,38+,39-,40-,41-,42+,43-,44-,46+,47-,48+,49-,50+,51-,52-,53-,54+,55-,56-,57-,58+,59-,60+,61+,62-,63+,68-,69-,70+,71-,72-,73+/m0/s1 |
| InChIKey | MUXQVOVOLFYXQE-HJVWMPHWSA-N |
| Mol Weight | 1561.8 g/mol |
| Molecular Formula | C73H124O35 |
| Exact Mass | 1560.792316 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J34GGCrG8zN |
|---|---|
| Name | #3;CALYSOLIN-XVI;METHYL-11S-JALAPINOLATE-11-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-(2-O-2S-METHYLBUTYRYL-4-O-TIGLOYL)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[O-BETA-D-GLUCOP |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C73H124O35 |
| InChI | InChI=1S/C73H124O35/c1-13-18-24-27-40(28-25-22-20-19-21-23-26-29-45(77)92-12)96-71-60(52(84)46(78)38(10)94-71)106-73-62(108-72-63(104-67(91)37(9)17-5)61(56(39(11)95-72)101-64(88)34(6)14-2)107-69-54(86)51(83)48(80)42(31-75)98-69)58(49(81)43(32-76)99-73)105-70-55(87)59(103-66(90)36(8)16-4)57(102-65(89)35(7)15-3)44(100-70)33-93-68-53(85)50(82)47(79)41(30-74)97-68/h14,35-44,46-63,68-76,78-87H,13,15-33H2,1-12H3/b34-14+/t35-,36-,37-,38+,39-,40-,41-,42+,43-,44-,46+,47-,48+,49-,50+,51-,52-,53-,54+,55-,56-,57-,58+,59-,60+,61+,62-,63+,68-,69-,70+,71-,72-,73+/m0/s1 |
| InChIKey | MUXQVOVOLFYXQE-HJVWMPHWSA-N |
| Literature Reference Author | M.ONO,A.TAKIGAWA,H.MUTO,K.KABATA,M.OKAWA,J.KINJO,K.YOKOMIZO, H.YOSHIMITSU,T.NOHAR |
| Literature Reference Citation | CHEM.PHARM.BULL.,63,641(2015) |
| Literature Reference DOI | 10.1248/cpb.c15-00307 |
| Molecular Weight | 1561.767 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA10111 |