| Properties | Image |
|---|
| MNX_ID | MNXM1182238 |
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| reference | envipathM:...dbbe562de898 |
| formula | C54H89O13 |
| global charge | -1 |
| mol weight | 946.293 |
| InChIKey | GVOHPFFGUKXRQX-UHFFFAOYSA-M |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-30-38-52(58)64-42(40-62-51(57)37-29-20-17-18-26-36-48-50(67-48)39-49-47(66-49)33-6-4-2)41-63-54(61)44(56)32-24-21-22-27-34-45-46(65-45)35-28-23-25-31-43(55)53(59)60/h8-9,11-12,23,28,42-50,55-56H,3-7,10,13-22,24-27,29-41H2,1-2H3,(H,59,60)/p-1 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)C(O)CCCCCCC1OC1CC=CCCC(O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-30-38-52(58)64-42(40-62-51(57)37-29-20-17-18-26-36-48-50(67-48)39-49-47(66-49)33-6-4-2)41-63-54(61)44(56)32-24-21-22-27-34-45-46(65-45)35-28-23-25-31-43(55)53(59)60/h8-9,11-12,23,28,42-50,55-56H,3-7,10,13-22,24-27,29-41H2,1-2H3,(H,59,60)/b9-8?,12-11?,28-23?/t42?,43?,44?,45?,46?,47?,48?,49?,50? |
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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][CH2:19][CH2:30][CH2:38][C:52](=[O:58])[O:64][CH:42]([CH2:40][O:62][C:51]([CH2:37][CH2:29][CH2:20][CH2:17][CH2:18][CH2:26][CH2:36][CH:48]1[CH:50]([CH2:39][CH:49]2[CH:47]([CH2:33][CH2:6][CH2:4][CH3:2])[O:66]2)[O:67]1)=[O:57])[CH2:41][O:63][C:54]([CH:44]([CH2:32][CH2:24][CH2:21][CH2:22][CH2:27][CH2:34][CH:45]1[CH:46]([CH2:35][CH:28]=[CH:23][CH2:25][CH2:31][CH:43]([C:53](=[O:59])[OH:60])[OH:55])[O:65]1)[OH:56])=[O:61] |
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