| Properties | Image |
|---|
| MNX_ID | MNXM1193453 |
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| reference | envipathM:...3715ea7a4863 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | VASHCEPOETWOCO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-31-39-50(60)65-43(41-63-48(58)37-29-22-17-19-26-33-44(56)51(61)45(57)34-27-24-25-32-40-55)42-64-49(59)38-30-23-18-20-28-36-47-54(67-47)52(62)53-46(66-53)35-6-4-2/h8-9,27,34,43-47,51-57,61-62H,3-7,10-26,28-33,35-42H2,1-2H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)C(O)C=CCCCCO)COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-31-39-50(60)65-43(41-63-48(58)37-29-22-17-19-26-33-44(56)51(61)45(57)34-27-24-25-32-40-55)42-64-49(59)38-30-23-18-20-28-36-47-54(67-47)52(62)53-46(66-53)35-6-4-2/h8-9,27,34,43-47,51-57,61-62H,3-7,10-26,28-33,35-42H2,1-2H3/b9-8?,34-27?/t43?,44?,45?,46?,47?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:21][CH2:31][CH2:39][C:50](=[O:60])[O:65][CH:43]([CH2:41][O:63][C:48]([CH2:37][CH2:29][CH2:22][CH2:17][CH2:19][CH2:26][CH2:33][CH:44]([CH:51]([CH:45]([CH:34]=[CH:27][CH2:24][CH2:25][CH2:32][CH2:40][OH:55])[OH:57])[OH:61])[OH:56])=[O:58])[CH2:42][O:64][C:49]([CH2:38][CH2:30][CH2:23][CH2:18][CH2:20][CH2:28][CH2:36][CH:47]1[CH:54]([CH:52]([CH:53]2[CH:46]([CH2:35][CH2:6][CH2:4][CH3:2])[O:66]2)[OH:62])[O:67]1)=[O:59] |
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