| Properties | Image |
|---|
| MNX_ID | MNXM1170251 |
 |
| reference | envipathM:...6bb8bcad61b2 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | RSJDPGYLBBXYDA-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-33-48-50(66-48)39-51-49(67-51)36-26-19-17-23-32-45(58)54(61)63-41-43(64-52(59)37-27-15-11-9-7-6-8-10-13-21-30-42(56)29-4-2)40-62-53(60)44(57)31-22-16-18-25-35-47-46(65-47)34-24-14-12-20-28-38-55/h8,10,14,21,24,30,38,42-51,56-58H,3-7,9,11-13,15-20,22-23,25-29,31-37,39-41H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC=CCCCC=O)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-33-48-50(66-48)39-51-49(67-51)36-26-19-17-23-32-45(58)54(61)63-41-43(64-52(59)37-27-15-11-9-7-6-8-10-13-21-30-42(56)29-4-2)40-62-53(60)44(57)31-22-16-18-25-35-47-46(65-47)34-24-14-12-20-28-38-55/h8,10,14,21,24,30,38,42-51,56-58H,3-7,9,11-13,15-20,22-23,25-29,31-37,39-41H2,1-2H3/b10-8?,24-14?,30-21?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:33][CH:48]1[CH:50]([CH2:39][CH:51]2[CH:49]([CH2:36][CH2:26][CH2:19][CH2:17][CH2:23][CH2:32][CH:45]([C:54](=[O:61])[O:63][CH2:41][CH:43]([CH2:40][O:62][C:53]([CH:44]([CH2:31][CH2:22][CH2:16][CH2:18][CH2:25][CH2:35][CH:47]3[CH:46]([CH2:34][CH:24]=[CH:14][CH2:12][CH2:20][CH2:28][CH:38]=[O:55])[O:65]3)[OH:57])=[O:60])[O:64][C:52]([CH2:37][CH2:27][CH2:15][CH2:11][CH2:9][CH2:7][CH2:6][CH:8]=[CH:10][CH2:13][CH:21]=[CH:30][CH:42]([CH2:29][CH2:4][CH3:2])[OH:56])=[O:59])[OH:58])[O:67]2)[O:66]1 |
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