| Properties | Image |
|---|
| MNX_ID | MNXM1198410 |
 |
| reference | envipathM:...a0069e518e7b |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | KEHLJTPVTOTHQH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-20-29-38-52(60)65-43(42-64-51(59)37-28-23-22-25-33-45(57)54(62)53(61)44(56)32-24-8-6-4-2)41-63-50(58)36-27-21-18-19-26-34-46-48(66-46)40-49-47(67-49)35-30-31-39-55/h9-10,12-13,24,32,43-44,46-49,53-56,61-62H,3-8,11,14-23,25-31,33-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCCO)COC(=O)CCCCCCC(=O)C(O)C(O)C(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-20-29-38-52(60)65-43(42-64-51(59)37-28-23-22-25-33-45(57)54(62)53(61)44(56)32-24-8-6-4-2)41-63-50(58)36-27-21-18-19-26-34-46-48(66-46)40-49-47(67-49)35-30-31-39-55/h9-10,12-13,24,32,43-44,46-49,53-56,61-62H,3-8,11,14-23,25-31,33-42H2,1-2H3/b10-9?,13-12?,32-24?/t43?,44?,46?,47?,48?,49?,53?,54? |
 |
| 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][CH2:17][CH2:20][CH2:29][CH2:38][C:52](=[O:60])[O:65][CH:43]([CH2:41][O:63][C:50]([CH2:36][CH2:27][CH2:21][CH2:18][CH2:19][CH2:26][CH2:34][CH:46]1[CH:48]([CH2:40][CH:49]2[CH:47]([CH2:35][CH2:30][CH2:31][CH2:39][OH:55])[O:67]2)[O:66]1)=[O:58])[CH2:42][O:64][C:51]([CH2:37][CH2:28][CH2:23][CH2:22][CH2:25][CH2:33][C:45]([CH:54]([CH:53]([CH:44]([CH:32]=[CH:24][CH2:8][CH2:6][CH2:4][CH3:2])[OH:56])[OH:61])[OH:62])=[O:57])=[O:59] |
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