| Properties | Image |
MNX_ID | MNXM191564 |
 |
reference | slm:000250514 |
formula | C65H112O6 |
global charge | 0 |
mol weight | 989.605 |
InChIKey | FSAWWQJWYGHFRX-NUCGHJQBSA-N |
InChI | InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31-32,35,38,62H,4-6,8-9,11-15,17-18,20,22-23,27,30,33-34,36-37,39-61H2,1-3H3/b10-7-,19-16-,24-21+,28-25-,29-26-,32-31-,38-35-/t62-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C/CCCCCC |
MNX internals
InChI (mnx) | InChI=1/C65H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,31-32,35,38,62H,4-6,8-9,11-15,17-18,20,22-23,27,30,33-34,36-37,39-61H2,1-3H3/b10-7-,19-16-,24-21+,28-25-,29-26-,32-31-,38-35-/t62-/m1/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]\[CH2:30]/[CH:31]=[CH:32]\[CH2:33]/[CH:35]=[CH:38]\[CH2:41][CH2:44][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][CH2:27]/[CH:24]=[CH:21]/[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[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]/[CH:29]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:67] |
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