| Properties | Image |
|---|
| MNX_ID | MNXM1173726 |
 |
| reference | envipathM:...86d0f01c7213 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | CTMBORGNHCPWQK-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-2-3-4-5-6-7-8-9-10-11-12-15-22-32-45(58)54(61)64-43(41-62-52(59)37-27-18-13-16-24-33-46-47(65-46)34-25-17-14-21-29-38-55)42-63-53(60)44(57)31-23-19-20-26-35-48-50(66-48)40-51-49(67-51)36-28-30-39-56/h5-6,8-9,17,25,39,43-51,55,57-58H,2-4,7,10-16,18-24,26-38,40-42H2,1H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCCO)COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC=O |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-2-3-4-5-6-7-8-9-10-11-12-15-22-32-45(58)54(61)64-43(41-62-52(59)37-27-18-13-16-24-33-46-47(65-46)34-25-17-14-21-29-38-55)42-63-53(60)44(57)31-23-19-20-26-35-48-50(66-48)40-51-49(67-51)36-28-30-39-56/h5-6,8-9,17,25,39,43-51,55,57-58H,2-4,7,10-16,18-24,26-38,40-42H2,1H3/b6-5?,9-8?,25-17?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH:5]=[CH:6][CH2:7][CH:8]=[CH:9][CH2:10][CH2:11][CH2:12][CH2:15][CH2:22][CH2:32][CH:45]([C:54](=[O:61])[O:64][CH:43]([CH2:41][O:62][C:52]([CH2:37][CH2:27][CH2:18][CH2:13][CH2:16][CH2:24][CH2:33][CH:46]1[CH:47]([CH2:34][CH:25]=[CH:17][CH2:14][CH2:21][CH2:29][CH2:38][OH:55])[O:65]1)=[O:59])[CH2:42][O:63][C:53]([CH:44]([CH2:31][CH2:23][CH2:19][CH2:20][CH2:26][CH2:35][CH:48]1[CH:50]([CH2:40][CH:51]2[CH:49]([CH2:36][CH2:28][CH2:30][CH:39]=[O:56])[O:67]2)[O:66]1)[OH:57])=[O:60])[OH:58] |
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