| Properties | Image |
|---|
| MNX_ID | MNXM1138901 |
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| reference | envipathM:...16e59128702b |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | VXWFHGIYNNLZSH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-6-12-23-32-45-46(65-45)33-24-14-10-16-26-35-50(58)62-40-43(64-52(60)37-28-19-18-22-31-42(56)30-21-13-8-7-9-20-29-38-55)41-63-51(59)36-27-17-11-15-25-34-47-48(66-47)39-49-54(67-49)53(61)44(57)4-2/h12,21,23,30,42-49,53-57,61H,3-11,13-20,22,24-29,31-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)C(O)CC)OC(=O)CCCCCCC(O)C=CCCCCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-6-12-23-32-45-46(65-45)33-24-14-10-16-26-35-50(58)62-40-43(64-52(60)37-28-19-18-22-31-42(56)30-21-13-8-7-9-20-29-38-55)41-63-51(59)36-27-17-11-15-25-34-47-48(66-47)39-49-54(67-49)53(61)44(57)4-2/h12,21,23,30,42-49,53-57,61H,3-11,13-20,22,24-29,31-41H2,1-2H3/b23-12?,30-21?/t42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:12]=[CH:23][CH2:32][CH:45]1[CH:46]([CH2:33][CH2:24][CH2:14][CH2:10][CH2:16][CH2:26][CH2:35][C:50](=[O:58])[O:62][CH2:40][CH:43]([CH2:41][O:63][C:51]([CH2:36][CH2:27][CH2:17][CH2:11][CH2:15][CH2:25][CH2:34][CH:47]2[CH:48]([CH2:39][CH:49]3[CH:54]([CH:53]([CH:44]([CH2:4][CH3:2])[OH:57])[OH:61])[O:67]3)[O:66]2)=[O:59])[O:64][C:52]([CH2:37][CH2:28][CH2:19][CH2:18][CH2:22][CH2:31][CH:42]([CH:30]=[CH:21][CH2:13][CH2:8][CH2:7][CH2:9][CH2:20][CH2:29][CH2:38][OH:55])[OH:56])=[O:60])[O:65]1 |
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