| Properties | Image |
|---|
| MNX_ID | MNXM1183269 |
 |
| reference | envipathM:...163b4f8e794e |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | PWQOBSFAONSIID-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-20-29-42(56)30-21-12-9-8-10-14-27-37-52(61)64-43(40-62-50(59)35-25-17-15-22-31-44(57)53-47(66-53)34-24-13-11-19-28-38-55)41-63-51(60)36-26-18-16-23-32-45(58)54-49(67-54)39-48-46(65-48)33-6-4-2/h13,20-21,24,29-30,43-49,53-55,57-58H,3-12,14-19,22-23,25-28,31-41H2,1-2H3 |
| SMILES | CCCCC=CC(=O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC(O)C1OC1CC=CCCCCO)COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-20-29-42(56)30-21-12-9-8-10-14-27-37-52(61)64-43(40-62-50(59)35-25-17-15-22-31-44(57)53-47(66-53)34-24-13-11-19-28-38-55)41-63-51(60)36-26-18-16-23-32-45(58)54-49(67-54)39-48-46(65-48)33-6-4-2/h13,20-21,24,29-30,43-49,53-55,57-58H,3-12,14-19,22-23,25-28,31-41H2,1-2H3/b24-13?,29-20?,30-21?/t43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:20]=[CH:29][C:42]([CH:30]=[CH:21][CH2:12][CH2:9][CH2:8][CH2:10][CH2:14][CH2:27][CH2:37][C:52](=[O:61])[O:64][CH:43]([CH2:40][O:62][C:50]([CH2:35][CH2:25][CH2:17][CH2:15][CH2:22][CH2:31][CH:44]([CH:53]1[CH:47]([CH2:34][CH:24]=[CH:13][CH2:11][CH2:19][CH2:28][CH2:38][OH:55])[O:66]1)[OH:57])=[O:59])[CH2:41][O:63][C:51]([CH2:36][CH2:26][CH2:18][CH2:16][CH2:23][CH2:32][CH:45]([CH:54]1[CH:49]([CH2:39][CH:48]2[CH:46]([CH2:33][CH2:6][CH2:4][CH3:2])[O:65]2)[O:67]1)[OH:58])=[O:60])=[O:56] |
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