| SpectraBase Compound ID | 4XR3RmAuEZW |
|---|---|
| InChI | InChI=1S/C35H46O8/c1-6-7-8-9-13-16-27(37)43-35-28(32(35,4)5)25-18-23(20-36)19-33(40)26(17-21(2)29(33)38)34(25,41)22(3)30(35)42-31(39)24-14-11-10-12-15-24/h10-12,14-15,17-18,22,25-26,28,30,36,40-41H,6-9,13,16,19-20H2,1-5H3/t22-,25+,26-,28-,30-,33-,34+,35-/m1/s1 |
| InChIKey | ZSODFQPJTVVVJG-PLYAENOJSA-N |
| Mol Weight | 594.7 g/mol |
| Molecular Formula | C35H46O8 |
| Exact Mass | 594.319268 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HRoc895KBll |
|---|---|
| Name | 12-O-BENZOYLPHORBOL_12-OCTANOATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H46O8 |
| InChI | InChI=1S/C35H46O8/c1-6-7-8-9-13-16-27(37)43-35-28(32(35,4)5)25-18-23(20-36)19-33(40)26(17-21(2)29(33)38)34(25,41)22(3)30(35)42-31(39)24-14-11-10-12-15-24/h10-12,14-15,17-18,22,25-26,28,30,36,40-41H,6-9,13,16,19-20H2,1-5H3/t22-,25+,26-,28-,30-,33-,34+,35-/m1/s1 |
| InChIKey | ZSODFQPJTVVVJG-PLYAENOJSA-N |
| Literature Reference Author | Y.ASADA,A.SUKEMORI,T.WATANABE,K.J.MALLA,T.YOSHOKAWA,W.LI,X.K UANG,K.KOIKE,C.H.CHE |
| Literature Reference Citation | J.NAT.PROD.,76,852(2013) |
| Literature Reference DOI | 10.1021/np300815t |
| Molecular Weight | 594.745 g/mol |
| Sample ID | 42475 |
| Solvent | CDCl3 |