| SpectraBase Compound ID | 91x9gdwcYrr |
|---|---|
| InChI | InChI=1S/C43H70O11/c1-15-38(6)20-16-29-40(8,25-33(46)50-13)28(17-21-41(29,9)53-38)37(4,5)35(48)52-26-31(44)43(11)23-19-30-39(7,24-32(45)49-12)27(18-22-42(30,10)54-43)36(2,3)34(47)51-14/h15,27-31,44H,1,16-26H2,2-14H3/t27-,28-,29+,30+,31-,38+,39-,40-,41+,42+,43-/m1/s1 |
| InChIKey | JJFAOSZAGSHMFF-FHCFTNCDSA-N |
| Mol Weight | 763.0 g/mol |
| Molecular Formula | C43H70O11 |
| Exact Mass | 762.491813 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BpnqFIWXxa |
|---|---|
| Name | EXCOECARIN-R1-METHYLESTER |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H70O11 |
| InChI | InChI=1S/C43H70O11/c1-15-38(6)20-16-29-40(8,25-33(46)50-13)28(17-21-41(29,9)53-38)37(4,5)35(48)52-26-31(44)43(11)23-19-30-39(7,24-32(45)49-12)27(18-22-42(30,10)54-43)36(2,3)34(47)51-14/h15,27-31,44H,1,16-26H2,2-14H3/t27-,28-,29+,30+,31-,38+,39-,40-,41+,42+,43-/m1/s1 |
| InChIKey | JJFAOSZAGSHMFF-FHCFTNCDSA-N |
| Literature Reference Author | T.KONISHI,K.YAMAZOE,T.KONOSHIMA,T.MAOKA,Y.FUJIWARA,K.MIYAHAR A |
| Literature Reference Citation | J.NAT.PROD.,66,108(2003) |
| Literature Reference DOI | 10.1021/np020321j |
| Molecular Weight | 763.022 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI16700 |