| SpectraBase Compound ID | 39EBvq9ysIW |
|---|---|
| InChI | InChI=1S/C82H98O45/c1-19-53-54(55(77(100)101-18)31-105-78(53)127-82-76(120-50(17)97)71(117-47(14)94)67(114-44(11)91)61(123-82)33-104-37(4)84)30-64(99)125-74-72(126-81-75(119-49(16)96)69(115-45(12)92)65(35(2)107-81)112-42(9)89)68(124-63(98)25-22-51-20-23-56(108-38(5)85)58(28-51)110-40(7)87)62(121-79(74)102-27-26-52-21-24-57(109-39(6)86)59(29-52)111-41(8)88)34-106-80-73(118-48(15)95)70(116-46(13)93)66(113-43(10)90)60(122-80)32-103-36(3)83/h19-25,28-29,31,35,54,60-62,65-76,78-82H,26-27,30,32-34H2,1-18H3/b25-22+,53-19-/t35-,54-,60-,61-,62+,65-,66-,67-,68+,69+,70+,71+,72-,73-,74+,75+,76-,78-,79+,80-,81-,82+/m0/s1 |
| InChIKey | QCCVEJYERUMXGC-ATQIZDFLSA-N |
| Mol Weight | 1803.6 g/mol |
| Molecular Formula | C82H98O45 |
| Exact Mass | 1802.538011 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GY9xK2a2deO |
|---|---|
| Name | OLEOECHINACOSIDE-PENTADECAACETATE |
| Compound Number | 223 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C82H98O45 |
| InChI | InChI=1S/C82H98O45/c1-19-53-54(55(77(100)101-18)31-105-78(53)127-82-76(120-50(17)97)71(117-47(14)94)67(114-44(11)91)61(123-82)33-104-37(4)84)30-64(99)125-74-72(126-81-75(119-49(16)96)69(115-45(12)92)65(35(2)107-81)112-42(9)89)68(124-63(98)25-22-51-20-23-56(108-38(5)85)58(28-51)110-40(7)87)62(121-79(74)102-27-26-52-21-24-57(109-39(6)86)59(29-52)111-41(8)88)34-106-80-73(118-48(15)95)70(116-46(13)93)66(113-43(10)90)60(122-80)32-103-36(3)83/h19-25,28-29,31,35,54,60-62,65-76,78-82H,26-27,30,32-34H2,1-18H3/b25-22+,53-19-/t35-,54-,60-,61-,62+,65-,66-,67-,68+,69+,70+,71+,72-,73-,74+,75+,76-,78-,79+,80-,81-,82+/m0/s1 |
| InChIKey | QCCVEJYERUMXGC-ATQIZDFLSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,54,1173(1991) |
| Literature Reference DOI | 10.1021/np50077a001 |
| Molecular Weight | 1803.653 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS4521 |