| SpectraBase Compound ID | 6Hq8i5RFjsv |
|---|---|
| InChI | InChI=1S/C22H32O5/c1-13-14(11-18(24)26-4)7-8-15-19(13)16(23)12-17-21(15,2)9-6-10-22(17,3)20(25)27-5/h11,13,15,17,19H,6-10,12H2,1-5H3/b14-11-/t13-,15-,17+,19-,21+,22+/m0/s1 |
| InChIKey | UMKMKHVTQXNBRV-IMNPJZNZSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C22H32O5 |
| Exact Mass | 376.224974 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JPUSUh466ZR |
|---|---|
| Name | (1R,4aR,4bS,7Z,8R,8aS,10aR)-7-(2-methoxy-2-oxoethylidene)-1,4a,8-trimethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylic acid methyl ester |
| CAS Registry Number | 109278-76-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H32O5 |
| InChI | InChI=1S/C22H32O5/c1-13-14(11-18(24)26-4)7-8-15-19(13)16(23)12-17-21(15,2)9-6-10-22(17,3)20(25)27-5/h11,13,15,17,19H,6-10,12H2,1-5H3/b14-11-/t13-,15-,17+,19-,21+,22+/m0/s1 |
| InChIKey | UMKMKHVTQXNBRV-IMNPJZNZSA-N |
| Molecular Weight | 376.493 g/mol |
| SMILES | [C@@]12([C@]([C@@](C(=O)OC)(C)CCC2)(CC([C@@]2([C@@]1(CC\C(=C\C(=O)OC)[C@@]2(C)[H])[H])[H])=O)[H])C |
| SPLASH | splash10-0006-0009000000-977403bcfe51114d4939 |
| Source of Spectrum | KC-1989-1881-19 |
| Synonyms | (1R,4aR,4bS,7Z,8R,8aS,10aR)-9-keto-7-(2-keto-2-methoxy-ethylidene)-1,4a,8-trimethyl-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylic acid methyl ester Methyl (1R,4aR,4bS,7Z,8R,8aS,10aR)-7-(2-methoxy-2-oxidanylidene-ethylidene)-1,4a,8-trimethyl-9-oxidanylidene-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate Methyl (1R,4aR,4bS,7Z,8R,8aS,10aR)-7-(2-methoxy-2-oxo-ethylidene)-1,4a,8-trimethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate |
| Wiley ID | 1357874 |