| Properties | Image |
|---|
| MNX_ID | MNXM1138782 |
 |
| reference | envipathM:...fc81e4769e0d |
| formula | C29H45O12 |
| global charge | -1 |
| mol weight | 585.667 |
| InChIKey | HHAZGMMYUIHSFS-UHFFFAOYSA-M |
| InChI | InChI=1S/C29H46O12/c1-14-24(36)18(31)11-23(40-14)41-17-4-5-25(2)15(8-17)9-21(33)29(39)19(25)12-20(32)26(3)27(37,6-7-28(26,29)38)16(13-30)10-22(34)35/h10,14-15,17-21,23-24,30-33,36-39H,4-9,11-13H2,1-3H3,(H,34,35)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)CC(O)C2(O)C3CC(O)C3(C)C(O)(C(=CC(=O)[O-])CO)CCC23O)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C29H46O12/c1-14-24(36)18(31)11-23(40-14)41-17-4-5-25(2)15(8-17)9-21(33)29(39)19(25)12-20(32)26(3)27(37,6-7-28(26,29)38)16(13-30)10-22(34)35/h10,14-15,17-21,23-24,30-33,36-39H,4-9,11-13H2,1-3H3,(H,34,35)/b16-10?/t14?,15?,17?,18?,19?,20?,21?,23?,24?,25?,26?,27?,28?,29? |
 |
| SMILES (mnx) | [CH3:1][CH:14]1[CH:24]([OH:36])[CH:18]([OH:31])[CH2:11][CH:23]([O:41][CH:17]2[CH2:4][CH2:5][C:25]3([CH3:2])[CH:15]([CH2:8]2)[CH2:9][CH:21]([OH:33])[C:29]2([OH:39])[CH:19]3[CH2:12][CH:20]([OH:32])[C:26]3([CH3:3])[C:27]([C:16](=[CH:10][C:22](=[O:34])[OH:35])[CH2:13][OH:30])([OH:37])[CH2:6][CH2:7][C:28]32[OH:38])[O:40]1 |
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