| SpectraBase Spectrum ID |
BcBBlHCuUDM |
| Name |
[(13S,14R,16R,18R,20R,22S,24R,26R,29S,30S)-(allE)]-14,16,18,20,22,24,26-heptaacetoxy-13,29-dimethyl-30-(1-methylethyl)oxacyclotriaconta-3,5,7,9,11,27-hexaen-2-one |
| Alternate Name(s) |
(3Z,5Z,7Z,9Z,11Z,13S,14R,16R,18R,20R,22S,24R,26R,27Z,29S,30S)-16,18,20,22,24,26-hexakis(acetyloxy)-13,29-dimethyl-2-oxo-30-(propan-2-yl)-1-oxacyclotriaconta-3,5,7,9,11,27-hexaen-14-yl acetate |
| CAS Registry Number |
121073-99-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C48H68O16 |
| InChI |
InChI=1S/C48H68O16/c1-30(2)48-32(4)22-23-40(57-33(5)49)24-41(58-34(6)50)25-42(59-35(7)51)26-43(60-36(8)52)27-44(61-37(9)53)28-45(62-38(10)54)29-46(63-39(11)55)31(3)20-18-16-14-12-13-15-17-19-21-47(56)64-48/h12-23,30-32,40-46,48H,24-29H2,1-11H3/b13-12-,16-14-,17-15-,20-18-,21-19-,23-22-/t31-,32-,40-,41-,42+,43+,44+,45+,46+,48-/m0/s1 |
| InChIKey |
GTCUCUXZYJGBER-YIAQNGNHSA-N |
| Molecular Weight |
901.056 g/mol |
| SMILES |
[C@@]1(OC(\C=C/C=C\C=C/C=C\C=C/[C@@]([C@@](C[C@@](C[C@@](C[C@@](C[C@@](C[C@](C[C@](\C=C/[C@@]1(C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(C)[H])=O)(C(C)C)[H] |
| SPLASH |
splash10-0006-9000000000-9309e26e37ed9ee48502 |
| Source of Spectrum |
J-54-3819-7 |
| Wiley ID |
1418029 |
![[(13S,14R,16R,18R,20R,22S,24R,26R,29S,30S)-(allE)]-14,16,18,20,22,24,26-heptaacetoxy-13,29-dimethyl-30-(1-methylethyl)oxacyclotriaconta-3,5,7,9,11,27-hexaen-2-one](/api/spectrum/BcBBlHCuUDM/structure.png?h=300&w=458 "[(13S,14R,16R,18R,20R,22S,24R,26R,29S,30S)-(allE)]-14,16,18,20,22,24,26-heptaacetoxy-13,29-dimethyl-30-(1-methylethyl)oxacyclotriaconta-3,5,7,9,11,27-hexaen-2-one")
