| SpectraBase Compound ID | 2IRzsGzASot |
|---|---|
| InChI | 1S/C29H44O6/c1-16(30)34-19-13-22-28(6)12-9-20-26(3,4)10-8-11-27(20,5)21(28)14-23(32)29(22,7)24-18(19)15-33-25(24)35-17(2)31/h15,19-25,32H,8-14H2,1-7H3/t19-,20-,21+,22-,23+,24+,25-,27-,28+,29+/m0/s1 |
| InChIKey | VYIQDOVNWPEWRJ-JVQIYTTCSA-N |
| Mol Weight | 488.7 g/mol |
| Molecular Formula | C29H44O6 |
| Exact Mass | 488.313789 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BBGORvPjk4p |
|---|---|
| Name | Heteronemin |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H44O6 |
| InChI | InChI=1S/C29H44O6/c1-16(30)34-19-13-22-28(6)12-9-20-26(3,4)10-8-11-27(20,5)21(28)14-23(32)29(22,7)24-18(19)15-33-25(24)35-17(2)31/h15,19-25,32H,8-14H2,1-7H3/t19-,20-,21+,22-,23+,24+,25-,27-,28+,29+/m0/s1 |
| InChIKey | VYIQDOVNWPEWRJ-JVQIYTTCSA-N |
| Molecular Weight | 488.665 g/mol |
| SMILES | O[C@]1([C@@]2([C@@]3(C(=CO[C@]3(OC(=O)C)[H])[C@](C[C@]2([C@@]2(CC[C@@]3([C@@]([C@]2(C1)[H])(CCCC3(C)C)C)[H])C)[H])(OC(=O)C)[H])[H])C)[H] |
| SPLASH | splash10-00kg-8903000000-842b1be9dbc0e5dd39f9 |
| Source of Spectrum | X2-52-292-1 |
| Synonyms | Acetic acid [(1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aS,13bR)-1-acetyloxy-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e]isobenzofuran-4-yl] ester [(1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aS,13bR)-1-acetyloxy-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e][2]benzofuran-4-yl] acetate [(1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aS,13bR)-1-acetoxy-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e]isobenzofuran-4-yl] acetate [(1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aS,13bR)-1-acetyloxy-5b,8,8,11a,13a-pentamethyl-13-oxidanyl-1,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e][2]benzofuran-4-yl] ethanoate |
| Wiley ID | 1603057 |