| Properties | Image |
|---|
| MNX_ID | MNXM1181429 |
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| reference | envipathM:...6476119697e4 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | VWAOLGLLCZFJCR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-9-19-28-42(56)29-20-13-10-11-14-22-32-45(58)54(61)64-43(39-62-51(59)36-24-16-12-15-23-34-47-50(66-47)38-49-46(65-49)33-8-5-2)40-63-52(60)37-25-18-17-21-31-44(57)53-48(67-53)35-26-30-41(55)27-6-3/h19-20,26,28-30,42-50,53,56-58H,4-18,21-25,27,31-40H2,1-3H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)CCCCCCC(O)C1OC1CC=CC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-9-19-28-42(56)29-20-13-10-11-14-22-32-45(58)54(61)64-43(39-62-51(59)36-24-16-12-15-23-34-47-50(66-47)38-49-46(65-49)33-8-5-2)40-63-52(60)37-25-18-17-21-31-44(57)53-48(67-53)35-26-30-41(55)27-6-3/h19-20,26,28-30,42-50,53,56-58H,4-18,21-25,27,31-40H2,1-3H3/b28-19?,29-20?,30-26?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:19]=[CH:28][CH:42]([CH:29]=[CH:20][CH2:13][CH2:10][CH2:11][CH2:14][CH2:22][CH2:32][CH:45]([C:54](=[O:61])[O:64][CH:43]([CH2:39][O:62][C:51]([CH2:36][CH2:24][CH2:16][CH2:12][CH2:15][CH2:23][CH2:34][CH:47]1[CH:50]([CH2:38][CH:49]2[CH:46]([CH2:33][CH2:8][CH2:5][CH3:2])[O:65]2)[O:66]1)=[O:59])[CH2:40][O:63][C:52]([CH2:37][CH2:25][CH2:18][CH2:17][CH2:21][CH2:31][CH:44]([CH:53]1[CH:48]([CH2:35][CH:26]=[CH:30][C:41]([CH2:27][CH2:6][CH3:3])=[O:55])[O:67]1)[OH:57])=[O:60])[OH:58])[OH:56] |
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