![(-)-trans-Octahydro-5.alpha.-[(2-chloro-3,5-dimethoxyphenyl)methyl]-5.beta.,6.beta.,8a.beta.-trimethyl-1.beta.-(hydroxymethyl)-1(2H)-.-naphthalenyl 6-(N-t-BOCamino)hexanoate](/api/spectrum/3cdotUTyrjY/structure.png?h=300&w=458 "(-)-trans-Octahydro-5.alpha.-[(2-chloro-3,5-dimethoxyphenyl)methyl]-5.beta.,6.beta.,8a.beta.-trimethyl-1.beta.-(hydroxymethyl)-1(2H)-.-naphthalenyl 6-(N-t-BOCamino)hexanoate")
| SpectraBase Compound ID | 2RC3zi9eD9O |
|---|---|
| InChI | InChI=1S/C34H54ClNO6/c1-23-16-17-33(5)25(22-41-29(37)15-10-9-11-18-36-31(38)42-32(2,3)4)13-12-14-28(33)34(23,6)21-24-19-26(39-7)20-27(40-8)30(24)35/h19-20,23,25,28H,9-18,21-22H2,1-8H3,(H,36,38)/t23-,25+,28+,33+,34+/m0/s1 |
| InChIKey | UADWUJGKJPYVIQ-BXWKNGMPSA-N |
| Mol Weight | 608.3 g/mol |
| Molecular Formula | C34H54ClNO6 |
| Exact Mass | 607.363966 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3cdotUTyrjY |
|---|---|
| Name | (-)-trans-Octahydro-5.alpha.-[(2-chloro-3,5-dimethoxyphenyl)methyl]-5.beta.,6.beta.,8a.beta.-trimethyl-1.beta.-(hydroxymethyl)-1(2H)-.-naphthalenyl 6-(N-t-BOCamino)hexanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H54ClNO6 |
| InChI | InChI=1S/C34H54ClNO6/c1-23-16-17-33(5)25(22-41-29(37)15-10-9-11-18-36-31(38)42-32(2,3)4)13-12-14-28(33)34(23,6)21-24-19-26(39-7)20-27(40-8)30(24)35/h19-20,23,25,28H,9-18,21-22H2,1-8H3,(H,36,38)/t23-,25+,28+,33+,34+/m0/s1 |
| InChIKey | UADWUJGKJPYVIQ-BXWKNGMPSA-N |
| Molecular Weight | 608.260 g/mol |
| SMILES | N(C(OC(C)(C)C)=O)CCCCCC(OC[C@@]1([C@@]2([C@]([C@](Cc3c(c(OC)cc(c3)OC)Cl)([C@](CC2)(C)[H])C)(CCC1)[H])C)[H])=O |
| SPLASH | splash10-00dl-2903000000-eafd2baa4476e62df756 |
| Source of Spectrum | J-62-2830-21 |
| Wiley ID | 1410678 |