| SpectraBase Compound ID | BrpZaPleH9B |
|---|---|
| InChI | InChI=1S/C56H64O16/c1-13-49(57)65-41-25-42(66-50(58)14-2)34-21-33(41)29(9)35-22-36(44(68-52(60)16-4)26-43(35)67-51(59)15-3)31(11)39-24-40(48(72-56(64)20-8)28-47(39)71-55(63)19-7)32(12)38-23-37(30(34)10)45(69-53(61)17-5)27-46(38)70-54(62)18-6/h21-32H,13-20H2,1-12H3 |
| InChIKey | KADSFVRZOFQCRB-UHFFFAOYSA-N |
| Mol Weight | 993.1 g/mol |
| Molecular Formula | C56H64O16 |
| Exact Mass | 992.419436 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JqQ6jRDYY53 |
|---|---|
| Name | 2,8,14,20-Tetramethylpentacyclo-(19,3,1,1,1,1)octacosa-1(25),3,5,7,(28),9,11,13(27),15,17,19(26),21,23-dodecaene-4,6,10,12,18,22,24-octoloctapropanoate (stereoisomer) |
| CAS Registry Number | 74708-11-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C56H64O16 |
| InChI | InChI=1S/C56H64O16/c1-13-49(57)65-41-25-42(66-50(58)14-2)34-21-33(41)29(9)35-22-36(44(68-52(60)16-4)26-43(35)67-51(59)15-3)31(11)39-24-40(48(72-56(64)20-8)28-47(39)71-55(63)19-7)32(12)38-23-37(30(34)10)45(69-53(61)17-5)27-46(38)70-54(62)18-6/h21-32H,13-20H2,1-12H3 |
| InChIKey | KADSFVRZOFQCRB-UHFFFAOYSA-N |
| Molecular Weight | 993.112 g/mol |
| SMILES | c12c(cc(c(c2)C(c2c(cc(c(c2)C(c2c(OC(=O)CC)cc(c(C(c3cc(C1C)c(cc3OC(=O)CC)OC(=O)CC)C)c2)OC(=O)CC)C)OC(=O)CC)OC(=O)CC)C)OC(=O)CC)OC(=O)CC |
| SPLASH | splash10-001i-0000000293-41da9c3e1c2bc36ec29c |
| Source of Spectrum | J-45-4499-0 |
| Synonyms | 2,8,14,20-Tetramethylpentacyclo-(19,3,1,1,1,1)octacosa-1(25),3,5,7,(28),9,11,13(27),15,17,19(26),21,23-dodecaene-4,6,10,12,18,22,24-octol octapropanoate(stereoisomer) 2,8,14,20-tetramethyl-6,10,12,16,18,22,24-heptakis(propanoyloxy)pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(24),3(28),4,6,9(27),10,12,15(26),16,18,21(25),22-dodecaen-4-yl propanoate |
| Wiley ID | 1418372 |