| SpectraBase Compound ID | 4m4X1toTAG6 |
|---|---|
| InChI | InChI=1S/C32H50O6/c1-9-27(36)38-22-16-25-31(7)15-12-23-29(5,10-2)13-11-14-30(23,6)24(31)17-26(37-20(4)35)32(25,8)21(18-33)28(22)19(3)34/h18,21-26,28H,9-17H2,1-8H3/t21-,22?,23?,24?,25?,26+,28+,29?,30-,31+,32+/m0/s1 |
| InChIKey | XXXXFVKZTAECCQ-TZTXULKHSA-N |
| Mol Weight | 530.7 g/mol |
| Molecular Formula | C32H50O6 |
| Exact Mass | 530.360739 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AL8NIbkZuPy |
|---|---|
| Name | 12.alpha.-Acetoxy-16.beta.-propanoyloxy-20,24-dimethyl-24-oxoscalaran-25-al |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H50O6 |
| InChI | InChI=1S/C32H50O6/c1-9-27(36)38-22-16-25-31(7)15-12-23-29(5,10-2)13-11-14-30(23,6)24(31)17-26(37-20(4)35)32(25,8)21(18-33)28(22)19(3)34/h18,21-26,28H,9-17H2,1-8H3/t21-,22?,23?,24?,25?,26+,28+,29?,30-,31+,32+/m0/s1 |
| InChIKey | XXXXFVKZTAECCQ-TZTXULKHSA-N |
| Molecular Weight | 530.746 g/mol |
| SMILES | [C@@]12(C([C@@]3(CCC4[C@@](C3C[C@]2(OC(=O)C)[H])(CCCC4(CC)C)C)C)CC([C@@]([C@@]1(C=O)[H])(C(=O)C)[H])OC(=O)CC)C |
| SPLASH | splash10-05r0-0079000000-271d5248e5520aec61eb |
| Source of Spectrum | X2-55-1239-3 |
| Wiley ID | 1604604 |