| Properties | Image |
MNX_ID | MNXM276712 |
 |
reference | slm:000252345 |
formula | C65H116O6 |
global charge | 0 |
mol weight | 993.637 |
InChIKey | UNTUIYSAHCJTKF-RBUIPYMHSA-N |
InChI | InChI=1S/C65H116O6/c1-5-7-9-11-13-15-17-19-21-23-25-26-27-29-30-32-36-40-44-48-52-56-63(66)69-59-62(60-70-64(67)57-53-49-45-41-38-34-35-39-43-47-51-55-61(3)4)71-65(68)58-54-50-46-42-37-33-31-28-24-22-20-18-16-14-12-10-8-6-2/h13,15,19,21,25-26,29-30,36,40,61-62H,5-12,14,16-18,20,22-24,27-28,31-35,37-39,41-60H2,1-4H3/b15-13-,21-19-,26-25-,30-29-,40-36-/t62-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C65H116O6/c1-5-7-9-11-13-15-17-19-21-23-25-26-27-29-30-32-36-40-44-48-52-56-63(66)69-59-62(60-70-64(67)57-53-49-45-41-38-34-35-39-43-47-51-55-61(3)4)71-65(68)58-54-50-46-42-37-33-31-28-24-22-20-18-16-14-12-10-8-6-2/h13,15,19,21,25-26,29-30,36,40,61-62H,5-12,14,16-18,20,22-24,27-28,31-35,37-39,41-60H2,1-4H3/b15-13-,21-19-,26-25-,30-29-,40-36-/t62-/m1/s1 |
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SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:23]/[CH:25]=[CH:26]\[CH2:27]/[CH:29]=[CH:30]\[CH2:32]/[CH:36]=[CH:40]\[CH2:44][CH2:48][CH2:52][CH2:56][C:63](=[O:66])[O:69][CH2:59][C@H:62]([CH2:60][O:70][C:64]([CH2:57][CH2:53][CH2:49][CH2:45][CH2:41][CH2:38][CH2:34][CH2:35][CH2:39][CH2:43][CH2:47][CH2:51][CH2:55][CH:61]([CH3:3])[CH3:4])=[O:67])[O:71][C:65]([CH2:58][CH2:54][CH2:50][CH2:46][CH2:42][CH2:37][CH2:33][CH2:31][CH2:28][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:68] |
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