| SpectraBase Compound ID | Gc6c5pMBFV0 |
|---|---|
| InChI | InChI=1S/C41H62O5/c1-9-30(26(2)3)13-10-27(4)34-16-17-35-33-15-14-31-25-32(20-22-40(31,6)36(33)21-23-41(34,35)7)46-39(43)19-12-29-11-18-37(45-28(5)42)38(24-29)44-8/h11-12,18-19,24,26-27,30-36H,9-10,13-17,20-23,25H2,1-8H3/b19-12+/t27-,30?,31+,32?,33?,34?,35+,36?,40+,41-/m1/s1 |
| InChIKey | SNPAISFSKNCQCE-HMULPWAESA-N |
| Mol Weight | 634.9 g/mol |
| Molecular Formula | C41H62O5 |
| Exact Mass | 634.459725 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FXe4Do1R6zc |
|---|---|
| Name | stigmastanyl 4''-acetylferulate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C41H62O5 |
| InChI | InChI=1S/C41H62O5/c1-9-30(26(2)3)13-10-27(4)34-16-17-35-33-15-14-31-25-32(20-22-40(31,6)36(33)21-23-41(34,35)7)46-39(43)19-12-29-11-18-37(45-28(5)42)38(24-29)44-8/h11-12,18-19,24,26-27,30-36H,9-10,13-17,20-23,25H2,1-8H3/b19-12+/t27-,30?,31+,32?,33?,34?,35+,36?,40+,41-/m1/s1 |
| InChIKey | SNPAISFSKNCQCE-HMULPWAESA-N |
| Molecular Weight | 634.942 g/mol |
| SMILES | [C@@]12([C@](C3CC[C@@]4([C@@](C3CC2)(CCC(OC(\C=C\c2cc(OC)c(cc2)OC(=O)C)=O)C4)C)[H])(CCC1[C@@](CCC(C(C)C)CC)(C)[H])[H])C |
| SPLASH | splash10-0006-9700000000-f0bc48d0d0a7a36703f6 |
| Source of Spectrum | JC-440-29-0 |
| Synonyms | (5alpha)-stigmastan-3-yl (2E)-3-[4-(acetyloxy)-3-methoxyphenyl]-2-propenoate Stigmastanyl 4''-acetylferulate |
| Wiley ID | 1412307 |