| SpectraBase Compound ID | 2ZLMNzZYhCv |
|---|---|
| InChI | InChI=1S/C30H50O3/c1-26(2)21-9-7-19-17-27(3)14-11-23-29(5,16-13-25(33)30(23,6)18-31)22(27)10-8-20(19)28(21,4)15-12-24(26)32/h7,20-25,31-33H,8-18H2,1-6H3/t20?,21?,22?,23?,24?,25-,27?,28-,29?,30-/m1/s1 |
| InChIKey | VYUNCIDAMBNEFU-RSANDIKPSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C30H50O3 |
| Exact Mass | 458.375995 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1NQllXvSs5w |
|---|---|
| Name | Lycoclavanol |
| Alternate Name(s) | (3R,4S,13aR)-4-(hydroxymethyl)-4,6a,10,10,13a,15b-hexamethyl-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-naphtho[2',1':4,5]cyclohepta[1,2-a]naphthalene-3,11-diol (3R,4S,13aR)-4-Hydroxymethyl-4,6a,10,10,13a,15b-hexamethyl-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-cyclohepta[1,2-a;5,4-a']dinaphthalene-3,11-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O3 |
| InChI | InChI=1S/C30H50O3/c1-26(2)21-9-7-19-17-27(3)14-11-23-29(5,16-13-25(33)30(23,6)18-31)22(27)10-8-20(19)28(21,4)15-12-24(26)32/h7,20-25,31-33H,8-18H2,1-6H3/t20?,21?,22?,23?,24?,25-,27?,28-,29?,30-/m1/s1 |
| InChIKey | VYUNCIDAMBNEFU-RSANDIKPSA-N |
| Molecular Weight | 458.727 g/mol |
| SMILES | OC[C@@]1(C2C(CC[C@]1(O)[H])(C1C(CC2)(CC2=CCC3[C@@](C2CC1)(CCC(C3(C)C)O)C)C)C)C |
| SPLASH | splash10-052o-5920600000-f71ad81184748f584183 |
| Source of Spectrum | QF-45-962-3 |
| Wiley ID | 833417 |