| Properties | Image |
|---|
| MNX_ID | MNXM1180712 |
 |
| reference | envipathM:...90bcfc081160 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | XRLZXTKREJLHCG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-22-31-44(57)53-54(67-53)45(58)32-23-16-18-26-36-51(60)63-41-43(64-52(61)37-27-17-15-21-30-42(56)29-20-12-9-8-10-19-28-38-55)40-62-50(59)35-25-14-11-13-24-34-47-49(66-47)39-48-46(65-48)33-6-4-2/h8-9,20,22,29,31,38,42-49,53-54,56-58H,3-7,10-19,21,23-28,30,32-37,39-41H2,1-2H3 |
| SMILES | CCCCC=CC(O)C1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCC(O)C=CCC=CCCCC=O |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-22-31-44(57)53-54(67-53)45(58)32-23-16-18-26-36-51(60)63-41-43(64-52(61)37-27-17-15-21-30-42(56)29-20-12-9-8-10-19-28-38-55)40-62-50(59)35-25-14-11-13-24-34-47-49(66-47)39-48-46(65-48)33-6-4-2/h8-9,20,22,29,31,38,42-49,53-54,56-58H,3-7,10-19,21,23-28,30,32-37,39-41H2,1-2H3/b9-8?,29-20?,31-22?/t42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:22]=[CH:31][CH:44]([CH:53]1[CH:54]([CH:45]([CH2:32][CH2:23][CH2:16][CH2:18][CH2:26][CH2:36][C:51](=[O:60])[O:63][CH2:41][CH:43]([CH2:40][O:62][C:50]([CH2:35][CH2:25][CH2:14][CH2:11][CH2:13][CH2:24][CH2:34][CH:47]2[CH:49]([CH2:39][CH:48]3[CH:46]([CH2:33][CH2:6][CH2:4][CH3:2])[O:65]3)[O:66]2)=[O:59])[O:64][C:52]([CH2:37][CH2:27][CH2:17][CH2:15][CH2:21][CH2:30][CH:42]([CH:29]=[CH:20][CH2:12][CH:9]=[CH:8][CH2:10][CH2:19][CH2:28][CH:38]=[O:55])[OH:56])=[O:61])[OH:58])[O:67]1)[OH:57] |
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