| SpectraBase Compound ID | LHrURiZ3fFw |
|---|---|
| InChI | InChI=1S/C30H38O13/c1-13-10-11-20(37-15(3)31)28(8)22(13)25(40-18(6)34)30-21(42-27(36)29(30,9)43-30)12-14(2)23(38-16(4)32)24(39-17(5)33)26(28)41-19(7)35/h10,12,20-26H,11H2,1-9H3/b14-12-/t20?,21-,22+,23?,24+,25?,26-,28-,29-,30-/m0/s1 |
| InChIKey | VVIOGGVBTYJURI-GJBWVTMISA-N |
| Mol Weight | 606.6 g/mol |
| Molecular Formula | C30H38O13 |
| Exact Mass | 606.231241 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4UiBkEOuXA1 |
|---|---|
| Name | Excavatolide O |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H38O13 |
| InChI | InChI=1S/C30H38O13/c1-13-10-11-20(37-15(3)31)28(8)22(13)25(40-18(6)34)30-21(42-27(36)29(30,9)43-30)12-14(2)23(38-16(4)32)24(39-17(5)33)26(28)41-19(7)35/h10,12,20-26H,11H2,1-9H3/b14-12-/t20?,21-,22+,23?,24+,25?,26-,28-,29-,30-/m0/s1 |
| InChIKey | VVIOGGVBTYJURI-GJBWVTMISA-N |
| Molecular Weight | 606.621 g/mol |
| SMILES | [C@@]123[C@@](C(=O)O[C@]3(\C=C/(C([C@](OC(=O)C)([H])[C@@]([C@@]3([C@@](C1OC(=O)C)(C(=CCC3OC(=O)C)C)[H])C)(OC(=O)C)[H])OC(=O)C)C)[H])(C)O2 |
| SPLASH | splash10-017i-0395420000-65d9c529280663b3c6e0 |
| Source of Spectrum | B-52-365-3 |
| Synonyms | (2aS,5S,6R,7R,7aR,11aS,12aS,13aR)-5,6,7,12-tetrakis(acetyloxy)-4,7a,11,13a-tetramethyl-1-oxo-1,5,6,7,7a,8,9,11a,12,13a-decahydro-2aH-benzo[4,5]cyclodeca[1,2-b]oxireno[2,3-c]furan-8-yl acetate 2,3,4,9,14-Pentaacetoxy-8,17-epoxybriara-5,11-dien-18-one 2,3,9,14-Tetraacetoxy-8,17-11,12-diepoxybriara-5,-en-18-one |
| Wiley ID | 746535 |