![PSEUDOGINSENOSIDE_RT1_BUTYLESTER;OLEANOLIC_ACID-3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSIDE-6-O-BUTYLESTER]-28-O-BETA-D](/api/spectrum/6T7LAdT8Sb2/structure.png?h=300&w=458 "PSEUDOGINSENOSIDE_RT1_BUTYLESTER;OLEANOLIC_ACID-3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSIDE-6-O-BUTYLESTER]-28-O-BETA-D")
| SpectraBase Compound ID | 4MB3i9BKLM9 |
|---|---|
| InChI | InChI=1S/C51H82O18/c1-9-10-21-63-41(61)39-35(57)36(58)40(68-42-37(59)32(54)27(53)24-64-42)44(67-39)66-31-14-15-48(6)29(47(31,4)5)13-16-50(8)30(48)12-11-25-26-22-46(2,3)17-19-51(26,20-18-49(25,50)7)45(62)69-43-38(60)34(56)33(55)28(23-52)65-43/h11,26-40,42-44,52-60H,9-10,12-24H2,1-8H3/t26-,27+,28+,29-,30+,31-,32-,33+,34-,35-,36-,37+,38+,39-,40+,42-,43-,44+,48-,49+,50+,51-/m0/s1 |
| InChIKey | PWLRHGZJMJUWAB-ZEIJXSQXSA-N |
| Mol Weight | 983.2 g/mol |
| Molecular Formula | C51H82O18 |
| Exact Mass | 982.550116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6T7LAdT8Sb2 |
|---|---|
| Name | PSEUDOGINSENOSIDE_RT1_BUTYLESTER;OLEANOLIC_ACID-3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSIDE-6-O-BUTYLESTER]-28-O-BETA-D |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H82O18 |
| InChI | InChI=1S/C51H82O18/c1-9-10-21-63-41(61)39-35(57)36(58)40(68-42-37(59)32(54)27(53)24-64-42)44(67-39)66-31-14-15-48(6)29(47(31,4)5)13-16-50(8)30(48)12-11-25-26-22-46(2,3)17-19-51(26,20-18-49(25,50)7)45(62)69-43-38(60)34(56)33(55)28(23-52)65-43/h11,26-40,42-44,52-60H,9-10,12-24H2,1-8H3/t26-,27+,28+,29-,30+,31-,32-,33+,34-,35-,36-,37+,38+,39-,40+,42-,43-,44+,48-,49+,50+,51-/m0/s1 |
| InChIKey | PWLRHGZJMJUWAB-ZEIJXSQXSA-N |
| Literature Reference Author | H.H.CHAN,T.L.HWANG,M.V.B.REDDY,D.T.LI,K.QIAN,K.F.BASTOW,K.H. LEE,T.S.WU |
| Literature Reference Citation | J.NAT.PROD.,74,796(2011) |
| Literature Reference DOI | 10.1021/np100851s |
| Molecular Weight | 983.201 g/mol |
| Sample ID | 37313 |
| Solvent | C5D5N |