| Properties | Image |
|---|
| MNX_ID | MNXM1175264 |
 |
| reference | envipathM:...7324c29fd44a |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | SVCZTAXPYWKTGQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-9-10-13-19-29-42(56)30-20-16-17-25-37-52(60)64-43(40-62-50(58)35-24-15-11-14-23-33-46-45(65-46)32-22-12-8-6-4-2)41-63-51(59)36-26-18-21-31-44(57)53(61)54-49(67-54)39-48-47(66-48)34-27-28-38-55/h9-10,12,19,22,29,38,42-49,53-54,56-57,61H,3-8,11,13-18,20-21,23-28,30-37,39-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)CCCCCC(O)C(O)C1OC1CC1OC1CCCC=O |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-9-10-13-19-29-42(56)30-20-16-17-25-37-52(60)64-43(40-62-50(58)35-24-15-11-14-23-33-46-45(65-46)32-22-12-8-6-4-2)41-63-51(59)36-26-18-21-31-44(57)53(61)54-49(67-54)39-48-47(66-48)34-27-28-38-55/h9-10,12,19,22,29,38,42-49,53-54,56-57,61H,3-8,11,13-18,20-21,23-28,30-37,39-41H2,1-2H3/b10-9?,22-12?,29-19?/t42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:13][CH:19]=[CH:29][CH:42]([CH2:30][CH2:20][CH2:16][CH2:17][CH2:25][CH2:37][C:52](=[O:60])[O:64][CH:43]([CH2:40][O:62][C:50]([CH2:35][CH2:24][CH2:15][CH2:11][CH2:14][CH2:23][CH2:33][CH:46]1[CH:45]([CH2:32][CH:22]=[CH:12][CH2:8][CH2:6][CH2:4][CH3:2])[O:65]1)=[O:58])[CH2:41][O:63][C:51]([CH2:36][CH2:26][CH2:18][CH2:21][CH2:31][CH:44]([CH:53]([CH:54]1[CH:49]([CH2:39][CH:48]2[CH:47]([CH2:34][CH2:27][CH2:28][CH:38]=[O:55])[O:66]2)[O:67]1)[OH:61])[OH:57])=[O:59])[OH:56] |
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