| Properties | Image |
|---|
| MNX_ID | MNXM1138130 |
 |
| reference | envipathM:...23cbd97419ad |
| formula | C29H43O12 |
| global charge | -1 |
| mol weight | 583.651 |
| InChIKey | UNMNAZPAHMUTMF-UHFFFAOYSA-M |
| InChI | InChI=1S/C29H44O12/c1-14-39-23(13-20(30)25(36)40-14)41-16-6-7-26(2)15(10-16)4-5-17-18(26)11-21(31)27(3)28(17,37)8-9-29(27,38)19(24(34)35)12-22(32)33/h12,14-18,20-21,23-24,30-31,34-35,37-38H,4-11,13H2,1-3H3,(H,32,33)/p-1 |
| SMILES | CC1OC(=O)C(O)CC(OC2CCC3(C)C(CCC4C3CC(O)C3(C)C(O)(C(=CC(=O)[O-])C(O)O)CCC43O)C2)O1 |
MNX internals
| InChI (mnx) | InChI=1/C29H44O12/c1-14-39-23(13-20(30)25(36)40-14)41-16-6-7-26(2)15(10-16)4-5-17-18(26)11-21(31)27(3)28(17,37)8-9-29(27,38)19(24(34)35)12-22(32)33/h12,14-18,20-21,23-24,30-31,34-35,37-38H,4-11,13H2,1-3H3,(H,32,33)/b19-12?/t14?,15?,16?,17?,18?,20?,21?,23?,26?,27?,28?,29? |
 |
| SMILES (mnx) | [CH3:1][CH:14]1[O:39][CH:23]([O:41][CH:16]2[CH2:6][CH2:7][C:26]3([CH3:2])[CH:15]([CH2:4][CH2:5][CH:17]4[CH:18]3[CH2:11][CH:21]([OH:31])[C:27]3([CH3:3])[C:28]4([OH:37])[CH2:8][CH2:9][C:29]3([C:19](=[CH:12][C:22](=[O:32])[OH:33])[CH:24]([OH:34])[OH:35])[OH:38])[CH2:10]2)[CH2:13][CH:20]([OH:30])[C:25](=[O:36])[O:40]1 |
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