| Properties | Image |
|---|
| MNX_ID | MNXM1182711 |
 |
| reference | envipathM:...0cf2139ae11f |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | JSMZBBDLCNDWAF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-26-37-52(59)64-43(40-62-51(58)36-25-20-17-18-23-33-45-46(65-45)35-27-29-42(56)30-28-38-55)41-63-54(61)53(60)44(57)31-22-21-24-34-48-50(67-48)39-49-47(66-49)32-6-4-2/h11-12,27,29,42-50,53,55-57,60H,3-10,13-26,28,30-41H2,1-2H3 |
| SMILES | CCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCCO)COC(=O)C(O)C(O)CCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-26-37-52(59)64-43(40-62-51(58)36-25-20-17-18-23-33-45-46(65-45)35-27-29-42(56)30-28-38-55)41-63-54(61)53(60)44(57)31-22-21-24-34-48-50(67-48)39-49-47(66-49)32-6-4-2/h11-12,27,29,42-50,53,55-57,60H,3-10,13-26,28,30-41H2,1-2H3/b12-11?,29-27?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:8][CH2:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:26][CH2:37][C:52](=[O:59])[O:64][CH:43]([CH2:40][O:62][C:51]([CH2:36][CH2:25][CH2:20][CH2:17][CH2:18][CH2:23][CH2:33][CH:45]1[CH:46]([CH2:35][CH:27]=[CH:29][CH:42]([CH2:30][CH2:28][CH2:38][OH:55])[OH:56])[O:65]1)=[O:58])[CH2:41][O:63][C:54]([CH:53]([CH:44]([CH2:31][CH2:22][CH2:21][CH2:24][CH2:34][CH:48]1[CH:50]([CH2:39][CH:49]2[CH:47]([CH2:32][CH2:6][CH2:4][CH3:2])[O:66]2)[O:67]1)[OH:57])[OH:60])=[O:61] |
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