| Properties | Image |
|---|
| MNX_ID | MNXM1192804 |
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| reference | envipathM:...5be5a678c864 |
| formula | C29H47O12 |
| global charge | -1 |
| mol weight | 587.683 |
| InChIKey | WTEJSJORIXSVOZ-UHFFFAOYSA-M |
| InChI | InChI=1S/C29H48O12/c1-14-24(36)17(31)10-23(40-14)41-16-8-15-4-5-19-28(38)7-6-18(27(37,13-30)12-22(34)35)26(28,3)21(33)11-29(19,39)25(15,2)20(32)9-16/h14-21,23-24,30-33,36-39H,4-13H2,1-3H3,(H,34,35)/p-1 |
| SMILES | CC1OC(OC2CC(O)C3(C)C(CCC4C3(O)CC(O)C3(C)C(C(O)(CO)CC(=O)[O-])CCC43O)C2)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C29H48O12/c1-14-24(36)17(31)10-23(40-14)41-16-8-15-4-5-19-28(38)7-6-18(27(37,13-30)12-22(34)35)26(28,3)21(33)11-29(19,39)25(15,2)20(32)9-16/h14-21,23-24,30-33,36-39H,4-13H2,1-3H3,(H,34,35)/t14?,15?,16?,17?,18?,19?,20?,21?,23?,24?,25?,26?,27?,28?,29? |
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| SMILES (mnx) | [CH3:1][CH:14]1[CH:24]([OH:36])[CH:17]([OH:31])[CH2:10][CH:23]([O:41][CH:16]2[CH2:8][CH:15]3[CH2:4][CH2:5][CH:19]4[C:28]5([OH:38])[CH2:7][CH2:6][CH:18]([C:27]([CH2:12][C:22](=[O:34])[OH:35])([CH2:13][OH:30])[OH:37])[C:26]5([CH3:3])[CH:21]([OH:33])[CH2:11][C:29]4([OH:39])[C:25]3([CH3:2])[CH:20]([OH:32])[CH2:9]2)[O:40]1 |
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