| Properties | Image |
|---|
| MNX_ID | MNXM1187674 |
 |
| reference | envipathM:...cccdf619eb48 |
| formula | C54H89O13 |
| global charge | -1 |
| mol weight | 946.293 |
| InChIKey | ADNGJCBYBILNDG-UHFFFAOYSA-M |
| InChI | InChI=1S/C54H90O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-29-36-53(59)64-43(41-62-51(57)34-27-21-14-17-24-31-45-46(65-45)32-25-19-16-23-30-39-55)42-63-52(58)35-28-22-15-18-26-33-47-49(66-47)40-50-48(67-50)38-37-44(56)54(60)61/h5-6,8-9,19,25,43-50,55-56H,2-4,7,10-18,20-24,26-42H2,1H3,(H,60,61)/p-1 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCCO)COC(=O)CCCCCCCC1OC1CC1OC1CCC(O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-29-36-53(59)64-43(41-62-51(57)34-27-21-14-17-24-31-45-46(65-45)32-25-19-16-23-30-39-55)42-63-52(58)35-28-22-15-18-26-33-47-49(66-47)40-50-48(67-50)38-37-44(56)54(60)61/h5-6,8-9,19,25,43-50,55-56H,2-4,7,10-18,20-24,26-42H2,1H3,(H,60,61)/b6-5?,9-8?,25-19?/t43?,44?,45?,46?,47?,48?,49?,50? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH:5]=[CH:6][CH2:7][CH:8]=[CH:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:20][CH2:29][CH2:36][C:53](=[O:59])[O:64][CH:43]([CH2:41][O:62][C:51]([CH2:34][CH2:27][CH2:21][CH2:14][CH2:17][CH2:24][CH2:31][CH:45]1[CH:46]([CH2:32][CH:25]=[CH:19][CH2:16][CH2:23][CH2:30][CH2:39][OH:55])[O:65]1)=[O:57])[CH2:42][O:63][C:52]([CH2:35][CH2:28][CH2:22][CH2:15][CH2:18][CH2:26][CH2:33][CH:47]1[CH:49]([CH2:40][CH:50]2[CH:48]([CH2:38][CH2:37][CH:44]([C:54](=[O:60])[OH:61])[OH:56])[O:67]2)[O:66]1)=[O:58] |
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