| Properties | Image |
|---|
| MNX_ID | MNXM1195557 |
 |
| reference | envipathM:...e24569c80311 |
| formula | C35H53O13 |
| global charge | -1 |
| mol weight | 681.796 |
| InChIKey | HAHSYERPGMXZTN-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H54O13/c1-16-31(43)25(38)13-30(45-16)48-32-17(2)46-29(14-26(32)39)47-19-5-7-33(3)21-12-27(40)34(4)20(18(15-36)9-28(41)42)6-8-35(34,44)22(21)11-24(37)23(33)10-19/h16-26,29-30,32,36-39,44H,5-15H2,1-4H3,(H,41,42)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(C3)C(O)CC3C4CC(=O)C4(C)C(C(CO)CC(=O)[O-])CCC34O)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C35H54O13/c1-16-31(43)25(38)13-30(45-16)48-32-17(2)46-29(14-26(32)39)47-19-5-7-33(3)21-12-27(40)34(4)20(18(15-36)9-28(41)42)6-8-35(34,44)22(21)11-24(37)23(33)10-19/h16-26,29-30,32,36-39,44H,5-15H2,1-4H3,(H,41,42)/t16?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,29?,30?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH:16]1[C:31](=[O:43])[CH:25]([OH:38])[CH2:13][CH:30]([O:48][CH:32]2[CH:17]([CH3:2])[O:46][CH:29]([O:47][CH:19]3[CH2:5][CH2:7][C:33]4([CH3:3])[CH:21]5[CH2:12][C:27](=[O:40])[C:34]6([CH3:4])[CH:20]([CH:18]([CH2:9][C:28](=[O:41])[OH:42])[CH2:15][OH:36])[CH2:6][CH2:8][C:35]6([OH:44])[CH:22]5[CH2:11][CH:24]([OH:37])[CH:23]4[CH2:10]3)[CH2:14][CH:26]2[OH:39])[O:45]1 |
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