| Properties | Image |
|---|
| MNX_ID | MNXM1189135 |
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| reference | envipathM:...1bac309cce83 |
| formula | C54H98O12 |
| global charge | 0 |
| mol weight | 939.366 |
| InChIKey | NPBFYROLAKUDIK-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H98O12/c1-3-5-7-26-34-46(57)54-49(66-54)36-28-21-19-24-30-38-52(60)63-43-44(64-53(61)39-31-22-16-14-12-10-8-9-11-13-15-17-25-32-40-55)42-62-51(59)37-29-23-18-20-27-33-45(56)47(58)41-50-48(65-50)35-6-4-2/h26,34,44-50,54-58H,3-25,27-33,35-43H2,1-2H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)OC(=O)CCCCCCCCCCCCCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H98O12/c1-3-5-7-26-34-46(57)54-49(66-54)36-28-21-19-24-30-38-52(60)63-43-44(64-53(61)39-31-22-16-14-12-10-8-9-11-13-15-17-25-32-40-55)42-62-51(59)37-29-23-18-20-27-33-45(56)47(58)41-50-48(65-50)35-6-4-2/h26,34,44-50,54-58H,3-25,27-33,35-43H2,1-2H3/b34-26?/t44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:26]=[CH:34][CH:46]([CH:54]1[CH:49]([CH2:36][CH2:28][CH2:21][CH2:19][CH2:24][CH2:30][CH2:38][C:52](=[O:60])[O:63][CH2:43][CH:44]([CH2:42][O:62][C:51]([CH2:37][CH2:29][CH2:23][CH2:18][CH2:20][CH2:27][CH2:33][CH:45]([CH:47]([CH2:41][CH:50]2[CH:48]([CH2:35][CH2:6][CH2:4][CH3:2])[O:65]2)[OH:58])[OH:56])=[O:59])[O:64][C:53]([CH2:39][CH2:31][CH2:22][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:25][CH2:32][CH2:40][OH:55])=[O:61])[O:66]1)[OH:57] |
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