| Properties | Image |
|---|
| MNX_ID | MNXM1139218 |
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| reference | envipathM:...ac7b3539839e |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | CVVJPCIFUVVLPM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-3-5-7-8-9-10-11-12-13-14-15-16-23-32-40-54(62)65-45(43-63-52(60)38-30-24-17-20-27-34-46(56)47(57)35-28-22-19-26-33-41-55)44-64-53(61)39-31-25-18-21-29-36-48(58)49(59)42-51-50(66-51)37-6-4-2/h8-9,11-12,41,45-51,56-59H,3-7,10,13-40,42-44H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CCCCCCC=O)COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-3-5-7-8-9-10-11-12-13-14-15-16-23-32-40-54(62)65-45(43-63-52(60)38-30-24-17-20-27-34-46(56)47(57)35-28-22-19-26-33-41-55)44-64-53(61)39-31-25-18-21-29-36-48(58)49(59)42-51-50(66-51)37-6-4-2/h8-9,11-12,41,45-51,56-59H,3-7,10,13-40,42-44H2,1-2H3/b9-8?,12-11?/t45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:23][CH2:32][CH2:40][C:54](=[O:62])[O:65][CH:45]([CH2:43][O:63][C:52]([CH2:38][CH2:30][CH2:24][CH2:17][CH2:20][CH2:27][CH2:34][CH:46]([CH:47]([CH2:35][CH2:28][CH2:22][CH2:19][CH2:26][CH2:33][CH:41]=[O:55])[OH:57])[OH:56])=[O:60])[CH2:44][O:64][C:53]([CH2:39][CH2:31][CH2:25][CH2:18][CH2:21][CH2:29][CH2:36][CH:48]([CH:49]([CH2:42][CH:51]1[CH:50]([CH2:37][CH2:6][CH2:4][CH3:2])[O:66]1)[OH:59])[OH:58])=[O:61] |
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