| SpectraBase Compound ID | 7XoJR9Kh9r3 |
|---|---|
| InChI | InChI=1S/C62H96O31/c1-22-32(67)44(88-50-39(74)35(70)33(68)28(20-63)86-50)42(77)53(83-22)91-47-46(90-51-40(75)36(71)34(69)29(21-64)87-51)43(85-24(3)65)23(2)84-54(47)93-56(82)62-16-14-57(4,5)18-26(62)25-10-11-30-58(6)19-27(66)48(92-52-41(76)37(72)38(73)45(89-52)49(78)79)61(9,55(80)81)31(58)12-13-60(30,8)59(25,7)15-17-62/h10,22-23,26-48,50-54,63-64,66-77H,11-21H2,1-9H3,(H,78,79)(H,80,81)/t22-,23+,26?,27-,28+,29+,30+,31+,32-,33+,34+,35?,36-,37-,38-,39?,40+,41+,42+,43-,44+,45-,46-,47?,48-,50+,51-,52-,53-,54-,58+,59-,60+,61-,62-/m1/s1 |
| InChIKey | UJWCQKVQESVVNY-NHQXMQPRSA-N |
| Mol Weight | 1337.4 g/mol |
| Molecular Formula | C62H96O31 |
| Exact Mass | 1336.593556 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bo0IpX8gKrr |
|---|---|
| Name | HERNIARI SAPONIN 3 ; 28-O-(beta-D-GLUCOPYRANOSYL(1-3)-alpha-L-RHAMNOPYRANOSYL-(1-2)-(beta-D-GLUCOPYRANOSYL(1-3))-4-ACETYL-beta-D-FUCOPYRANOSYL(1-))-MEDICAGENIC ACID-3-O-beta-D-GLUCURONIDE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C62H96O31 |
| InChI | InChI=1S/C62H96O31/c1-22-32(67)44(88-50-39(74)35(70)33(68)28(20-63)86-50)42(77)53(83-22)91-47-46(90-51-40(75)36(71)34(69)29(21-64)87-51)43(85-24(3)65)23(2)84-54(47)93-56(82)62-16-14-57(4,5)18-26(62)25-10-11-30-58(6)19-27(66)48(92-52-41(76)37(72)38(73)45(89-52)49(78)79)61(9,55(80)81)31(58)12-13-60(30,8)59(25,7)15-17-62/h10,22-23,26-48,50-54,63-64,66-77H,11-21H2,1-9H3,(H,78,79)(H,80,81)/t22-,23+,26?,27-,28+,29+,30+,31+,32-,33+,34+,35?,36-,37-,38-,39?,40+,41+,42+,43-,44+,45-,46-,47?,48-,50+,51-,52-,53-,54-,58+,59-,60+,61-,62-/m1/s1 |
| InChIKey | UJWCQKVQESVVNY-NHQXMQPRSA-N |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |