| SpectraBase Compound ID | 1X6fehZ9NVA |
|---|---|
| InChI | InChI=1S/C42H70O15/c1-37(2)13-21-20-7-8-25-38(3)11-10-26(47)39(4,18-45)24(38)9-12-40(25,5)41(20,6)14-27(48)42(21,19-46)15-28(37)56-36-34(32(52)30(50)23(17-44)55-36)57-35-33(53)31(51)29(49)22(16-43)54-35/h7,21-36,43-53H,8-19H2,1-6H3/t21-,22+,23+,24+,25+,26-,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,38-,39-,40+,41+,42+/m0/s1 |
| InChIKey | ULMNRCXGFGRVOK-OWNHWUHISA-N |
| Mol Weight | 815.0 g/mol |
| Molecular Formula | C42H70O15 |
| Exact Mass | 814.471472 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Brsjc8dXnZ |
|---|---|
| Name | PLEUROSAPONIN-C;21-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-3-BETA,16-BETA,21-BETA,23,28-PENTAHYDROXY-OLEAN-12-EN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H70O15 |
| InChI | InChI=1S/C42H70O15/c1-37(2)13-21-20-7-8-25-38(3)11-10-26(47)39(4,18-45)24(38)9-12-40(25,5)41(20,6)14-27(48)42(21,19-46)15-28(37)56-36-34(32(52)30(50)23(17-44)55-36)57-35-33(53)31(51)29(49)22(16-43)54-35/h7,21-36,43-53H,8-19H2,1-6H3/t21-,22+,23+,24+,25+,26-,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,38-,39-,40+,41+,42+/m0/s1 |
| InChIKey | ULMNRCXGFGRVOK-OWNHWUHISA-N |
| Literature Reference Author | I.K.LEE,S.U.CHOI,K.R.LEE |
| Literature Reference Citation | CHEM.PHARM.BULL.,60,1011(2012) |
| Literature Reference DOI | 10.1248/cpb.c12-00274 |
| Molecular Weight | 815.009 g/mol |
| Source File Reference | UWBT4482 |