| Properties | Image |
MNX_ID | MNXM359322 |
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reference | slm:000288155 |
formula | C70H132O6 |
global charge | 0 |
mol weight | 1069.82 |
InChIKey | VDHVWCCXOZTMBV-UVPSPIBKSA-N |
InChI | InChI=1S/C70H132O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-37-38-40-43-46-49-52-55-58-61-64-70(73)76-67(65-74-68(71)62-59-56-53-50-47-44-41-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-31-29-26-23-20-17-14-11-8-5-2/h21,24,27,41,67H,4-20,22-23,25-26,28-40,42-66H2,1-3H3/b24-21+,41-27-/t67-/m0/s1 |
SMILES | CCCCCC/C=C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
InChI (mnx) | InChI=1/C70H132O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-36-37-38-40-43-46-49-52-55-58-61-64-70(73)76-67(65-74-68(71)62-59-56-53-50-47-44-41-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-31-29-26-23-20-17-14-11-8-5-2/h21,24,27,41,67H,4-20,22-23,25-26,28-40,42-66H2,1-3H3/b24-21+,41-27-/t67-/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][CH2:30][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][CH2:58][CH2:61][CH2:64][C:70](=[O:73])[O:76][C@@H:67]([CH2:65][O:74][C:68]([CH2:62][CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44]/[CH:41]=[CH:27]\[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:71])[CH2:66][O:75][C:69]([CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:31][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:72] |
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