| SpectraBase Compound ID | 6Yo8Dbs2vk9 |
|---|---|
| InChI | InChI=1S/C30H48O7/c1-19-16-25-11-8-12-26(32)23(5)22(4)17-28(33)36-27(14-13-20(2)24(6)31)21(3)10-9-15-29(7,34)30(35,18-19)37-25/h8-9,12,15,17,20-21,23-27,31-32,34-35H,1,10-11,13-14,16,18H2,2-7H3/b12-8+,15-9+,22-17-/t20?,21-,23+,24?,25-,26-,27+,29+,30-/m0/s1 |
| InChIKey | BTUZAAZFJXYEDV-YFXWCLLRSA-N |
| Mol Weight | 520.7 g/mol |
| Molecular Formula | C30H48O7 |
| Exact Mass | 520.340004 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CV85oKC4Kmz |
|---|---|
| Name | IRIOMOTEOLIDE_1C |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O7 |
| InChI | InChI=1S/C30H48O7/c1-19-16-25-11-8-12-26(32)23(5)22(4)17-28(33)36-27(14-13-20(2)24(6)31)21(3)10-9-15-29(7,34)30(35,18-19)37-25/h8-9,12,15,17,20-21,23-27,31-32,34-35H,1,10-11,13-14,16,18H2,2-7H3/b12-8+,15-9+,22-17-/t20?,21-,23+,24?,25-,26-,27+,29+,30-/m0/s1 |
| InChIKey | BTUZAAZFJXYEDV-YFXWCLLRSA-N |
| Literature Reference Author | M.TSUDA,K.OGUCHI,R.IWAMOTO,Y.OKAMOTO,E.FUKUSHI,J.KAWABATA,T. OZAWA,A.MASUDA |
| Literature Reference Citation | J.NAT.PROD.,70,1661(2007) |
| Literature Reference DOI | 10.1021/np0702537 |
| Molecular Weight | 520.707 g/mol |
| Sample ID | 31717 |
| Solvent | CDCl3 |