| Properties | Image |
|---|
| MNX_ID | MNXM1193457 |
 |
| reference | envipathM:...dd7e75bad6a2 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | GHFGHSXLZKBPRV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-3-5-7-14-23-33-45-46(64-45)34-24-16-12-19-26-37-49(57)61-41-44(63-51(59)39-28-18-11-9-10-15-22-32-43(56)31-21-8-6-4-2)42-62-50(58)38-27-20-13-17-25-35-47-53(65-47)52(60)54-48(66-54)36-29-30-40-55/h14,23,43-48,52-56,60H,3-13,15-22,24-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCCO)OC(=O)CCCCCCCCCC(O)CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-3-5-7-14-23-33-45-46(64-45)34-24-16-12-19-26-37-49(57)61-41-44(63-51(59)39-28-18-11-9-10-15-22-32-43(56)31-21-8-6-4-2)42-62-50(58)38-27-20-13-17-25-35-47-53(65-47)52(60)54-48(66-54)36-29-30-40-55/h14,23,43-48,52-56,60H,3-13,15-22,24-42H2,1-2H3/b23-14?/t43?,44?,45?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:14]=[CH:23][CH2:33][CH:45]1[CH:46]([CH2:34][CH2:24][CH2:16][CH2:12][CH2:19][CH2:26][CH2:37][C:49](=[O:57])[O:61][CH2:41][CH:44]([CH2:42][O:62][C:50]([CH2:38][CH2:27][CH2:20][CH2:13][CH2:17][CH2:25][CH2:35][CH:47]2[CH:53]([CH:52]([CH:54]3[CH:48]([CH2:36][CH2:29][CH2:30][CH2:40][OH:55])[O:66]3)[OH:60])[O:65]2)=[O:58])[O:63][C:51]([CH2:39][CH2:28][CH2:18][CH2:11][CH2:9][CH2:10][CH2:15][CH2:22][CH2:32][CH:43]([CH2:31][CH2:21][CH2:8][CH2:6][CH2:4][CH3:2])[OH:56])=[O:59])[O:64]1 |
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