| Properties | Image |
|---|
| MNX_ID | MNXM1179626 |
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| reference | envipathM:...60a19a1b4c5f |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | VKSONFVXBOGHOT-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-30-38-52(60)65-43(41-63-51(59)37-29-20-17-18-28-36-48-50(67-48)40-49-47(66-49)35-6-4-2)42-64-54(62)46(58)34-27-22-21-25-32-44(56)53(61)45(57)33-26-23-24-31-39-55/h8-9,11-12,26,33,43-44,46-50,53,55-56,58,61H,3-7,10,13-25,27-32,34-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)C(O)CCCCCCC(O)C(O)C(=O)C=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-30-38-52(60)65-43(41-63-51(59)37-29-20-17-18-28-36-48-50(67-48)40-49-47(66-49)35-6-4-2)42-64-54(62)46(58)34-27-22-21-25-32-44(56)53(61)45(57)33-26-23-24-31-39-55/h8-9,11-12,26,33,43-44,46-50,53,55-56,58,61H,3-7,10,13-25,27-32,34-42H2,1-2H3/b9-8?,12-11?,33-26?/t43?,44?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:30][CH2:38][C:52](=[O:60])[O:65][CH:43]([CH2:41][O:63][C:51]([CH2:37][CH2:29][CH2:20][CH2:17][CH2:18][CH2:28][CH2:36][CH:48]1[CH:50]([CH2:40][CH:49]2[CH:47]([CH2:35][CH2:6][CH2:4][CH3:2])[O:66]2)[O:67]1)=[O:59])[CH2:42][O:64][C:54]([CH:46]([CH2:34][CH2:27][CH2:22][CH2:21][CH2:25][CH2:32][CH:44]([CH:53]([C:45]([CH:33]=[CH:26][CH2:23][CH2:24][CH2:31][CH2:39][OH:55])=[O:57])[OH:61])[OH:56])[OH:58])=[O:62] |
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