| SpectraBase Compound ID | K3eJ1DODAAB |
|---|---|
| InChI | InChI=1S/C52H95N9O11/c1-21-31(11)40(49(68)59(18)42(32(12)22-2)50(69)60(19)43(33(13)23-3)51(70)61(20)44(52(71)72)34(14)24-4)56-46(65)41(30(9)10)58(17)47(66)37(27-28(5)6)57(16)48(67)39(29(7)8)55-45(64)36(54-35(15)62)25-26-38(53)63/h28-34,36-37,39-44H,21-27H2,1-20H3,(H2,53,63)(H,54,62)(H,55,64)(H,56,65)(H,71,72)/t31?,32?,33?,34?,36-,37-,39+,40-,41-,42-,43-,44+/m0/s1 |
| InChIKey | VXIGGFCVGVNWDZ-WNJFCVQFSA-N |
| Mol Weight | 1022.4 g/mol |
| Molecular Formula | C52H95N9O11 |
| Exact Mass | 1021.715105 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EaDAmK808BT |
|---|---|
| Name | RHM-2 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H95N9O11 |
| InChI | InChI=1S/C52H95N9O11/c1-21-31(11)40(49(68)59(18)42(32(12)22-2)50(69)60(19)43(33(13)23-3)51(70)61(20)44(52(71)72)34(14)24-4)56-46(65)41(30(9)10)58(17)47(66)37(27-28(5)6)57(16)48(67)39(29(7)8)55-45(64)36(54-35(15)62)25-26-38(53)63/h28-34,36-37,39-44H,21-27H2,1-20H3,(H2,53,63)(H,54,62)(H,55,64)(H,56,65)(H,71,72)/t31?,32?,33?,34?,36-,37-,39+,40-,41-,42-,43-,44+/m0/s1 |
| InChIKey | VXIGGFCVGVNWDZ-WNJFCVQFSA-N |
| Literature Reference Author | C.M.BOOT,K.TENNEY,F.A.VALERIOTE,P.CREWS |
| Literature Reference Citation | J.NAT.PROD.,69,83(2006) |
| Literature Reference DOI | 10.1021/np0503653 |
| Molecular Weight | 1022.380 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ18067 |