SpectraBase Compound ID | DurKpr7t4iH |
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InChI | InChI=1S/C50H88O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-44(51)52-43-31-32-48(7)41(46(43,4)5)30-33-50(9)42(48)29-28-39-40-38-45(2,3)34-35-47(40,6)36-37-49(39,50)8/h28,40-43H,10-27,29-38H2,1-9H3/t40?,41?,42?,43-,47+,48-,49+,50+/m0/s1 |
InChIKey | KWGUACFRAIZODN-DMBOJLQMSA-N |
Mol Weight | 721.3 g/mol |
Molecular Formula | C50H88O2 |
Exact Mass | 720.678432 g/mol |
SpectraBase Spectrum ID | DmpRUgVBrP2 |
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Name | b-amyryl eicosanoate |
Alternate Name(s) | (3beta)-olean-12-en-3-yl icosanoate .beta.-Amyryl eicosadecanoate |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C50H88O2 |
InChI | InChI=1S/C50H88O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-44(51)52-43-31-32-48(7)41(46(43,4)5)30-33-50(9)42(48)29-28-39-40-38-45(2,3)34-35-47(40,6)36-37-49(39,50)8/h28,40-43H,10-27,29-38H2,1-9H3/t40?,41?,42?,43-,47+,48-,49+,50+/m0/s1 |
InChIKey | KWGUACFRAIZODN-DMBOJLQMSA-N |
Molecular Weight | 721.252 g/mol |
SMILES | [C@]12(C(C3CC(C)(C)CC[C@@]3(CC2)C)=CCC2[C@]3(CC[C@@](C(C3CC[C@@]12C)(C)C)(OC(=O)CCCCCCCCCCCCCCCCCCC)[H])C)C |
SPLASH | splash10-0udr-0490100000-9144b4f492c5de8fc8e9 |
Source of Spectrum | O-32-1358-13 |
Wiley ID | 762961 |