![(+/-)-1-ALPHA-BENZOYLOXY-3-BETA-[(3R)-HYDROXY-6-METHOXYCARBONYL-(1E)-HEXENYL]-2-ALPHA-OCTYL-4-ALPHA-(2-TETRAHYDROPYRANYLOXY)-CYClOPENTANE](/api/spectrum/HJwDLrGsmOQ/structure.png?h=300&w=458 "(+/-)-1-ALPHA-BENZOYLOXY-3-BETA-[(3R)-HYDROXY-6-METHOXYCARBONYL-(1E)-HEXENYL]-2-ALPHA-OCTYL-4-ALPHA-(2-TETRAHYDROPYRANYLOXY)-CYClOPENTANE")
| SpectraBase Compound ID | RBBfxmznR6 |
|---|---|
| InChI | InChI=1S/2C33H50O7/c2*1-3-4-5-6-7-11-18-27-28(22-21-26(34)17-14-19-31(35)37-2)29(39-32-20-12-13-23-38-32)24-30(27)40-33(36)25-15-9-8-10-16-25/h2*8-10,15-16,21-22,26-30,32,34H,3-7,11-14,17-20,23-24H2,1-2H3/b2*22-21+/t26-,27+,28+,29+,30-,32?;26-,27-,28-,29-,30+,32?/m11/s1 |
| InChIKey | QHUNOXCRGQCPLX-YSBAGKOESA-N |
| Mol Weight | 1117.5 g/mol |
| Molecular Formula | C66H100O14 |
| Exact Mass | 1116.711308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HJwDLrGsmOQ |
|---|---|
| Name | (+/-)-1-ALPHA-BENZOYLOXY-3-BETA-[(3R)-HYDROXY-6-METHOXYCARBONYL-(1E)-HEXENYL]-2-ALPHA-OCTYL-4-ALPHA-(2-TETRAHYDROPYRANYLOXY)-CYClOPENTANE |
| Compound Number | XVI |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H100O14 |
| InChI | InChI=1S/2C33H50O7/c2*1-3-4-5-6-7-11-18-27-28(22-21-26(34)17-14-19-31(35)37-2)29(39-32-20-12-13-23-38-32)24-30(27)40-33(36)25-15-9-8-10-16-25/h2*8-10,15-16,21-22,26-30,32,34H,3-7,11-14,17-20,23-24H2,1-2H3/b2*22-21+/t26-,27+,28+,29+,30-,32?;26-,27-,28-,29-,30+,32?/m11/s1 |
| InChIKey | QHUNOXCRGQCPLX-YSBAGKOESA-N |
| Literature Reference Author | R.R.AKHMETVALEEV,R.V.BIKBULATOV,T.A.BELOGAEVA,F.A.AKBUTINA,M .S.MIFTAKHOV |
| Literature Reference Citation | RUSS.J.ORG.CHEM.,38,361(2002) |
| Literature Reference DOI | 10.1023/A:1016325923944 |
| Molecular Weight | 1117.512 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ9814 |