| Properties | Image |
|---|
| MNX_ID | MNXM1181589 |
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| reference | envipathM:...7431b924a45a |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | VSAZPFUTCVRYHD-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-12-25-35-48-53(67-48)44(57)31-22-16-17-27-37-52(60)63-41-43(64-54(61)45(58)32-23-19-21-30-42(56)29-20-13-9-8-10-18-28-38-55)40-62-51(59)36-26-15-11-14-24-34-47-50(66-47)39-49-46(65-49)33-6-4-2/h8-9,12,20,25,29,42-44,46-50,53,55-57H,3-7,10-11,13-19,21-24,26-28,30-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)C(=O)CCCCCC(O)C=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-12-25-35-48-53(67-48)44(57)31-22-16-17-27-37-52(60)63-41-43(64-54(61)45(58)32-23-19-21-30-42(56)29-20-13-9-8-10-18-28-38-55)40-62-51(59)36-26-15-11-14-24-34-47-50(66-47)39-49-46(65-49)33-6-4-2/h8-9,12,20,25,29,42-44,46-50,53,55-57H,3-7,10-11,13-19,21-24,26-28,30-41H2,1-2H3/b9-8?,25-12?,29-20?/t42?,43?,44?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:12]=[CH:25][CH2:35][CH:48]1[CH:53]([CH:44]([CH2:31][CH2:22][CH2:16][CH2:17][CH2:27][CH2:37][C:52](=[O:60])[O:63][CH2:41][CH:43]([CH2:40][O:62][C:51]([CH2:36][CH2:26][CH2:15][CH2:11][CH2:14][CH2:24][CH2:34][CH:47]2[CH:50]([CH2:39][CH:49]3[CH:46]([CH2:33][CH2:6][CH2:4][CH3:2])[O:65]3)[O:66]2)=[O:59])[O:64][C:54]([C:45]([CH2:32][CH2:23][CH2:19][CH2:21][CH2:30][CH:42]([CH:29]=[CH:20][CH2:13][CH:9]=[CH:8][CH2:10][CH2:18][CH2:28][CH2:38][OH:55])[OH:56])=[O:58])=[O:61])[OH:57])[O:67]1 |
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