| SpectraBase Compound ID | 4ia9El3Pqsz |
|---|---|
| InChI | InChI=1S/C46H80O3/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-25-42(48)49-41-30-31-44(6)38-29-33-45(7)37(36(3)24-22-23-35(2)34-47)28-32-46(45,8)39(38)26-27-40(44)43(41,4)5/h14-15,27,35-39,41,47H,9-13,16-26,28-34H2,1-8H3/b15-14+/t35?,36-,37-,38?,39-,41-,44-,45-,46+/m1/s1 |
| InChIKey | AYOZOXPTAUDFLM-NQTCQYGZSA-N |
| Mol Weight | 681.1 g/mol |
| Molecular Formula | C46H80O3 |
| Exact Mass | 680.610746 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5qPZtgYsAo2 |
|---|---|
| Name | LANOSCOPARIOL |
| CAS Registry Number | 172670-10-9 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H80O3 |
| InChI | InChI=1S/C46H80O3/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-25-42(48)49-41-30-31-44(6)38-29-33-45(7)37(36(3)24-22-23-35(2)34-47)28-32-46(45,8)39(38)26-27-40(44)43(41,4)5/h14-15,27,35-39,41,47H,9-13,16-26,28-34H2,1-8H3/b15-14+/t35?,36-,37-,38?,39-,41-,44-,45-,46+/m1/s1 |
| InChIKey | AYOZOXPTAUDFLM-NQTCQYGZSA-N |
| Literature Reference Author | S.K.SHARMA,M.ALI,R.SINGH |
| Literature Reference Citation | J.NAT.PROD.,59,181(1996) |
| Literature Reference DOI | 10.1021/np960048j |
| Molecular Weight | 681.139 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP2606 |