![CRASSUMOL-C;[2S*,7S*,8S*,(3E),(11E)]-7-ACETOXY-8-HYDROXY-CEMBRA-3,11-DIEN](/api/spectrum/5hUoLZ4U2DZ/structure.png?h=300&w=458 "CRASSUMOL-C;[2S*,7S*,8S*,(3E),(11E)]-7-ACETOXY-8-HYDROXY-CEMBRA-3,11-DIEN")
| SpectraBase Compound ID | CPf0EXAZbBR |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-15-7-6-12-22(5,24)21(26-18(4)23)11-9-16(2)13-20-19(10-8-15)17(3)14-25-20/h7,13,20-21,24H,6,8-12,14H2,1-5H3/b15-7+,16-13+/t20-,21-,22+/m0/s1 |
| InChIKey | GDTVZODNXRBOIB-ZRPNCXLZSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5hUoLZ4U2DZ |
|---|---|
| Name | CRASSUMOL-C;[2S*,7S*,8S*,(3E),(11E)]-7-ACETOXY-8-HYDROXY-CEMBRA-3,11-DIEN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-15-7-6-12-22(5,24)21(26-18(4)23)11-9-16(2)13-20-19(10-8-15)17(3)14-25-20/h7,13,20-21,24H,6,8-12,14H2,1-5H3/b15-7+,16-13+/t20-,21-,22+/m0/s1 |
| InChIKey | GDTVZODNXRBOIB-ZRPNCXLZSA-N |
| Literature Reference Author | S.T.LIN,S.K.WANG,C.Y.DUH |
| Literature Reference Citation | MAR.DRUGS,9,2705(2011) |
| Literature Reference DOI | 10.3390/md9122705 |
| Molecular Weight | 362.510 g/mol |
| Source File Reference | UWBT7080 |