| Properties | Image |
|---|
| MNX_ID | MNXM1171995 |
 |
| reference | envipathM:...baa5104bbff6 |
| formula | C29H45O12 |
| global charge | -1 |
| mol weight | 585.667 |
| InChIKey | MCSDSAYARFHQJL-UHFFFAOYSA-M |
| InChI | InChI=1S/C29H46O12/c1-27-14(6-15(8-21(27)34)40-24-10-19(33)26(38)20(12-31)41-24)7-18(32)25-17(27)9-22(35)28(2)16(3-4-29(25,28)39)13(11-30)5-23(36)37/h5,14-22,24-26,30-35,38-39H,3-4,6-12H2,1-2H3,(H,36,37)/p-1 |
| SMILES | CC12C(O)CC(OC3CC(O)C(O)C(CO)O3)CC1CC(O)C1C2CC(O)C2(C)C(C(=CC(=O)[O-])CO)CCC12O |
MNX internals
| InChI (mnx) | InChI=1/C29H46O12/c1-27-14(6-15(8-21(27)34)40-24-10-19(33)26(38)20(12-31)41-24)7-18(32)25-17(27)9-22(35)28(2)16(3-4-29(25,28)39)13(11-30)5-23(36)37/h5,14-22,24-26,30-35,38-39H,3-4,6-12H2,1-2H3,(H,36,37)/b13-5?/t14?,15?,16?,17?,18?,19?,20?,21?,22?,24?,25?,26?,27?,28?,29? |
 |
| SMILES (mnx) | [CH3:1][C:27]12[CH:14]([CH2:6][CH:15]([O:40][CH:24]3[CH2:10][CH:19]([OH:33])[CH:26]([OH:38])[CH:20]([CH2:12][OH:31])[O:41]3)[CH2:8][CH:21]1[OH:34])[CH2:7][CH:18]([OH:32])[CH:25]1[CH:17]2[CH2:9][CH:22]([OH:35])[C:28]2([CH3:2])[CH:16]([C:13](=[CH:5][C:23](=[O:36])[OH:37])[CH2:11][OH:30])[CH2:3][CH2:4][C:29]12[OH:39] |
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