![Benz[e]azulen-3(3aH)-one, 8-(acetyloxy)-5-[(acetyloxy)methyl]-4,6a,7,8,9,10,10a,10b-octahydro-3a,10a-dihydroxy-2,10-dimethyl-, [3aR-(3a.alpha.,6a.alpha.,8.beta.,10.beta.,10a.beta.,10b.beta.)]-](/api/spectrum/B4SeIAerw8G/structure.png?h=300&w=458 "Benz[e]azulen-3(3aH)-one, 8-(acetyloxy)-5-[(acetyloxy)methyl]-4,6a,7,8,9,10,10a,10b-octahydro-3a,10a-dihydroxy-2,10-dimethyl-, [3aR-(3a.alpha.,6a.alpha.,8.beta.,10.beta.,10a.beta.,10b.beta.)]-")
| SpectraBase Compound ID | EwfjG2LlT2t |
|---|---|
| InChI | InChI=1S/C21H28O7/c1-11-5-18-20(25,19(11)24)9-15(10-27-13(3)22)7-16-8-17(28-14(4)23)6-12(2)21(16,18)26/h5,7,12,16-18,25-26H,6,8-10H2,1-4H3 |
| InChIKey | PIHWYWGWKFMOOK-UHFFFAOYSA-N |
| Mol Weight | 392.45 g/mol |
| Molecular Formula | C21H28O7 |
| Exact Mass | 392.183503 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B4SeIAerw8G |
|---|---|
| Name | [8-(Acetyloxy)-3a,10a-dihydroxy-2,10-dimethyl-3-oxo-3,3a,4,6a,7,8,9,10,10a,10b-decahydrobenzo[e]azulen-5-yl]methyl acetate |
| CAS Registry Number | 77058-93-6 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28O7 |
| InChI | InChI=1S/C21H28O7/c1-11-5-18-20(25,19(11)24)9-15(10-27-13(3)22)7-16-8-17(28-14(4)23)6-12(2)21(16,18)26/h5,7,12,16-18,25-26H,6,8-10H2,1-4H3 |
| InChIKey | PIHWYWGWKFMOOK-UHFFFAOYSA-N |
| Molecular Weight | 392.448 g/mol |
| SMILES | OC12CC(=CC3CC(CC(C3(C2C=C(C1=O)C)O)C)OC(=O)C)COC(=O)C |
| SPLASH | splash10-0knc-4940000000-4129cd025ae57475bb78 |
| Source of Spectrum | W5-0-0-0 |
| Synonyms | (8-acetoxy-3a,10a-dihydroxy-2,10-dimethyl-3-oxo-6a,7,8,9,10,10b-hexahydro-4H-benzo[e]azulen-5-yl)methyl acetate (8-acetyloxy-3a,10a-dihydroxy-2,10-dimethyl-3-oxo-6a,7,8,9,10,10b-hexahydro-4H-benzo[e]azulen-5-yl)methyl acetate Acetic acid (8-acetoxy-3a,10a-dihydroxy-3-keto-2,10-dimethyl-6a,7,8,9,10,10b-hexahydro-4H-benz[e]azulen-5-yl)methyl ester Acetic acid (8-acetyloxy-3a,10a-dihydroxy-2,10-dimethyl-3-oxo-6a,7,8,9,10,10b-hexahydro-4H-benzo[e]azulen-5-yl)methyl ester Benz[e]azulen-3(3aH)-one, 8-(acetyloxy)-5-[(acetyloxy)methyl]-4,6a,7,8,9,10,10a,10b-octahydro-3a,10a-dihydroxy-2,10-dimethyl-, [3aR-(3a.alpha.,6a.alpha.,8.alpha.,10.beta.,10a.beta.,10b.beta.)]- Benz[e]azulen-3(3aH)-one, 8-(acetyloxy)-5-[(acetyloxy)methyl]-4,6a,7,8,9,10,10a,10b-octahydro-3a,10a-dihydroxy-2,10-dimethyl-, [3aR-(3a.alpha.,6a.alpha.,8.beta.,10.beta.,10a.beta.,10b.beta.)]- [8-acetyloxy-2,10-dimethyl-3a,10a-bis(oxidanyl)-3-oxidanylidene-6a,7,8,9,10,10b-hexahydro-4H-benzo[e]azulen-5-yl]methyl ethanoate |
| Wiley ID | 1365771 |