| Properties | Image |
|---|
| MNX_ID | MNXM1197824 |
 |
| reference | envipathM:...cbb20e357e1c |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | AHRFZPOMJMSWSE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-9-10-11-12-13-14-15-16-19-24-31-45(58)54(61)64-43(40-62-52(59)35-29-21-17-20-27-33-47-46(65-47)32-26-18-8-6-4-2)41-63-53(60)44(57)30-25-22-23-28-34-48-50(66-48)38-51-49(67-51)37-36-42(56)39-55/h9-10,12-13,18,26,42-43,45-51,55-56,58H,3-8,11,14-17,19-25,27-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)C(=O)CCCCCCC1OC1CC1OC1CCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-9-10-11-12-13-14-15-16-19-24-31-45(58)54(61)64-43(40-62-52(59)35-29-21-17-20-27-33-47-46(65-47)32-26-18-8-6-4-2)41-63-53(60)44(57)30-25-22-23-28-34-48-50(66-48)38-51-49(67-51)37-36-42(56)39-55/h9-10,12-13,18,26,42-43,45-51,55-56,58H,3-8,11,14-17,19-25,27-41H2,1-2H3/b10-9?,13-12?,26-18?/t42?,43?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:24][CH2:31][CH:45]([C:54](=[O:61])[O:64][CH:43]([CH2:40][O:62][C:52]([CH2:35][CH2:29][CH2:21][CH2:17][CH2:20][CH2:27][CH2:33][CH:47]1[CH:46]([CH2:32][CH:26]=[CH:18][CH2:8][CH2:6][CH2:4][CH3:2])[O:65]1)=[O:59])[CH2:41][O:63][C:53]([C:44]([CH2:30][CH2:25][CH2:22][CH2:23][CH2:28][CH2:34][CH:48]1[CH:50]([CH2:38][CH:51]2[CH:49]([CH2:37][CH2:36][CH:42]([CH2:39][OH:55])[OH:56])[O:67]2)[O:66]1)=[O:57])=[O:60])[OH:58] |
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