| SpectraBase Compound ID | Wzb2IBlkke |
|---|---|
| InChI | InChI=1S/C62H100O25/c1-27(2)21-42(66)83-57-55(80-33(8)65)46-37(62(71)20-18-36(28(3)64)61(57,62)10)16-15-34-22-35(17-19-60(34,46)9)81-43-23-38(72-11)51(29(4)76-43)84-44-24-39(73-12)52(30(5)77-44)85-45-25-40(74-13)53(31(6)78-45)86-59-50(70)56(75-14)54(32(7)79-59)87-58-49(69)48(68)47(67)41(26-63)82-58/h15,27,29-32,35-41,43-59,63,67-71H,16-26H2,1-14H3/t29-,30+,31-,32+,35+,36-,37-,38+,39-,40-,41-,43+,44-,45+,46-,47-,48+,49-,50+,51-,52+,53-,54+,55+,56-,57-,58+,59-,60+,61+,62+/m1/s1 |
| InChIKey | PXGLRROUIHYIJI-YVVACJHSSA-N |
| Mol Weight | 1245.5 g/mol |
| Molecular Formula | C62H100O25 |
| Exact Mass | 1244.655369 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8dYPmsOBvj0 |
|---|---|
| Name | DREGEOSIDE-A-01 |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H100O25 |
| InChI | InChI=1S/C62H100O25/c1-27(2)21-42(66)83-57-55(80-33(8)65)46-37(62(71)20-18-36(28(3)64)61(57,62)10)16-15-34-22-35(17-19-60(34,46)9)81-43-23-38(72-11)51(29(4)76-43)84-44-24-39(73-12)52(30(5)77-44)85-45-25-40(74-13)53(31(6)78-45)86-59-50(70)56(75-14)54(32(7)79-59)87-58-49(69)48(68)47(67)41(26-63)82-58/h15,27,29-32,35-41,43-59,63,67-71H,16-26H2,1-14H3/t29-,30+,31-,32+,35+,36-,37-,38+,39-,40-,41-,43+,44-,45+,46-,47-,48+,49-,50+,51-,52+,53-,54+,55+,56-,57-,58+,59-,60+,61+,62+/m1/s1 |
| InChIKey | PXGLRROUIHYIJI-YVVACJHSSA-N |
| Literature Reference Author | F.ABE,H.FUJISHIMA,Y.IWASE,T.YAMAUCHI,K.KINJO,S.YAGA |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,1128(1999) |
| Literature Reference DOI | 10.1248/cpb.47.1128 |
| Molecular Weight | 1245.461 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU8173 |