| Properties | Image |
|---|
| MNX_ID | MNXM354414 |
 |
| reference | slm:000250000 |
| formula | C65H112O6 |
| global charge | 0 |
| mol weight | 989.605 |
| InChIKey | CDPXFGJCSOUOLY-ONEOHORZSA-N |
| InChI | InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-26,28-29,32,35,41,44,62H,4-6,8-9,11-15,18,21-24,27,30-31,33-34,36-40,42-43,45-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-32-,44-41-/t62-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C65H112O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3/h7,10,16-17,19-20,25-26,28-29,32,35,41,44,62H,4-6,8-9,11-15,18,21-24,27,30-31,33-34,36-40,42-43,45-61H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,35-32-,44-41-/t62-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31]/[CH:32]=[CH:35]\[CH2:38]/[CH:41]=[CH:44]\[CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][C:65](=[O:68])[O:71][C@@H:62]([CH2:60][O:69][C:63]([CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:66])[CH2:61][O:70][C:64]([CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:30][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:67] |
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