| Properties | Image |
|---|
| MNX_ID | MNXM1170564 |
 |
| reference | envipathM:...3a3cc244f4dd |
| formula | C54H89O13 |
| global charge | -1 |
| mol weight | 946.293 |
| InChIKey | VHPWBQASCCKYCR-UHFFFAOYSA-M |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-28-37-51(60)64-43(40-62-49(58)35-26-22-17-19-24-32-44-45(65-44)34-29-30-42(55)38-39-48(56)57)41-63-50(59)36-27-23-18-20-25-33-47-54(67-47)52(61)53-46(66-53)31-6-4-2/h8-9,11-12,29-30,42-47,52-55,61H,3-7,10,13-28,31-41H2,1-2H3,(H,56,57)/p-1 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC(=O)[O-])COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-28-37-51(60)64-43(40-62-49(58)35-26-22-17-19-24-32-44-45(65-44)34-29-30-42(55)38-39-48(56)57)41-63-50(59)36-27-23-18-20-25-33-47-54(67-47)52(61)53-46(66-53)31-6-4-2/h8-9,11-12,29-30,42-47,52-55,61H,3-7,10,13-28,31-41H2,1-2H3,(H,56,57)/b9-8?,12-11?,30-29?/t42?,43?,44?,45?,46?,47?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:21][CH2:28][CH2:37][C:51](=[O:60])[O:64][CH:43]([CH2:40][O:62][C:49]([CH2:35][CH2:26][CH2:22][CH2:17][CH2:19][CH2:24][CH2:32][CH:44]1[CH:45]([CH2:34][CH:29]=[CH:30][CH:42]([CH2:38][CH2:39][C:48](=[O:56])[OH:57])[OH:55])[O:65]1)=[O:58])[CH2:41][O:63][C:50]([CH2:36][CH2:27][CH2:23][CH2:18][CH2:20][CH2:25][CH2:33][CH:47]1[CH:54]([CH:52]([CH:53]2[CH:46]([CH2:31][CH2:6][CH2:4][CH3:2])[O:66]2)[OH:61])[O:67]1)=[O:59] |
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