| Properties | Image |
|---|
| MNX_ID | MNXM1185950 |
 |
| reference | envipathM:...687140f1f768 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | WTKMXPZTFDTCFL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-6-17-28-42(57)29-18-11-8-7-9-13-23-37-50(60)65-43(39-63-49(59)36-22-14-10-12-20-32-45-46(66-45)35-26-30-41(56)27-4-2)40-64-54(62)44(58)31-19-15-16-21-33-47-52(67-47)51(61)53-48(68-53)34-24-25-38-55/h17-18,26,28-30,41-48,51-53,55-58,61H,3-16,19-25,27,31-40H2,1-2H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)COC(=O)C(O)CCCCCCC1OC1C(O)C1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-6-17-28-42(57)29-18-11-8-7-9-13-23-37-50(60)65-43(39-63-49(59)36-22-14-10-12-20-32-45-46(66-45)35-26-30-41(56)27-4-2)40-64-54(62)44(58)31-19-15-16-21-33-47-52(67-47)51(61)53-48(68-53)34-24-25-38-55/h17-18,26,28-30,41-48,51-53,55-58,61H,3-16,19-25,27,31-40H2,1-2H3/b28-17?,29-18?,30-26?/t41?,42?,43?,44?,45?,46?,47?,48?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:17]=[CH:28][CH:42]([CH:29]=[CH:18][CH2:11][CH2:8][CH2:7][CH2:9][CH2:13][CH2:23][CH2:37][C:50](=[O:60])[O:65][CH:43]([CH2:39][O:63][C:49]([CH2:36][CH2:22][CH2:14][CH2:10][CH2:12][CH2:20][CH2:32][CH:45]1[CH:46]([CH2:35][CH:26]=[CH:30][CH:41]([CH2:27][CH2:4][CH3:2])[OH:56])[O:66]1)=[O:59])[CH2:40][O:64][C:54]([CH:44]([CH2:31][CH2:19][CH2:15][CH2:16][CH2:21][CH2:33][CH:47]1[CH:52]([CH:51]([CH:53]2[CH:48]([CH2:34][CH2:24][CH2:25][CH2:38][OH:55])[O:68]2)[OH:61])[O:67]1)[OH:58])=[O:62])[OH:57] |
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