| Properties | Image |
MNX_ID | MNXM334724 |
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reference | slm:000255137 |
formula | C65H120O6 |
global charge | 0 |
mol weight | 997.669 |
InChIKey | SPXFNMVYKCOKNQ-DIAOVKFFSA-N |
InChI | InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-27-24-21-18-15-12-9-6-3/h20,23,26-27,36-37,62H,4-19,21-22,24-25,28-35,38-61H2,1-3H3/b23-20+,36-26-,37-27-/t62-/m0/s1 |
SMILES | CCCCCC/C=C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C65H120O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-26-23-20-17-14-11-8-5-2)61-70-64(67)58-55-52-49-46-43-40-37-27-24-21-18-15-12-9-6-3/h20,23,26-27,36-37,62H,4-19,21-22,24-25,28-35,38-61H2,1-3H3/b23-20+,36-26-,37-27-/t62-/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:38][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]/[CH:36]=[CH:26]\[CH:23]=[CH:20]\[CH2:17][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]/[CH:37]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:67] |
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