| Properties | Image |
MNX_ID | MNXM276738 |
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reference | slm:000200736 |
formula | C60H106O6 |
global charge | 0 |
mol weight | 923.502 |
InChIKey | HIWCEKVDDACGLQ-SPLYOAIPSA-N |
InChI | InChI=1S/C60H106O6/c1-4-7-10-13-16-19-21-23-25-27-29-30-31-33-34-36-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-37-35-32-28-26-24-22-20-17-14-11-8-5-2/h16,19,23,25,29-30,33-34,38,41,57H,4-15,17-18,20-22,24,26-28,31-32,35-37,39-40,42-56H2,1-3H3/b19-16-,25-23-,30-29-,34-33-,41-38-/t57-/m0/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C60H106O6/c1-4-7-10-13-16-19-21-23-25-27-29-30-31-33-34-36-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-37-35-32-28-26-24-22-20-17-14-11-8-5-2/h16,19,23,25,29-30,33-34,38,41,57H,4-15,17-18,20-22,24,26-28,31-32,35-37,39-40,42-56H2,1-3H3/b19-16-,25-23-,30-29-,34-33-,41-38-/t57-/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:30]\[CH2:31]/[CH:33]=[CH:34]\[CH2:36]/[CH:38]=[CH:41]\[CH2:44][CH2:47][CH2:50][CH2:53][C:59](=[O:62])[O:65][CH2:56][C@H:57]([CH2:55][O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:61])[O:66][C:60]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:37][CH2:35][CH2:32][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:63] |
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