| Properties | Image |
|---|
| MNX_ID | MNXM1252357 |
 |
| reference | envipathM:...fd276d65df76 |
| formula | C29H43O11 |
| global charge | -1 |
| mol weight | 567.652 |
| InChIKey | UCMUNMCCAVUCKL-UHFFFAOYSA-M |
| InChI | InChI=1S/C29H44O11/c1-13-25(35)20(30)12-24(39-13)40-15-8-14-4-5-18-19(27(14,2)21(31)9-15)11-22(32)28(3)17(6-7-29(18,28)38)16(26(36)37)10-23(33)34/h10,13-15,17-22,24,26,30-32,36-38H,4-9,11-12H2,1-3H3,(H,33,34)/p-1 |
| SMILES | CC1OC(OC2CC(O)C3(C)C(CCC4C3CC(O)C3(C)C(C(=CC(=O)[O-])C(O)O)CCC43O)C2)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C29H44O11/c1-13-25(35)20(30)12-24(39-13)40-15-8-14-4-5-18-19(27(14,2)21(31)9-15)11-22(32)28(3)17(6-7-29(18,28)38)16(26(36)37)10-23(33)34/h10,13-15,17-22,24,26,30-32,36-38H,4-9,11-12H2,1-3H3,(H,33,34)/b16-10?/t13?,14?,15?,17?,18?,19?,20?,21?,22?,24?,27?,28?,29? |
 |
| SMILES (mnx) | [CH3:1][CH:13]1[C:25](=[O:35])[CH:20]([OH:30])[CH2:12][CH:24]([O:40][CH:15]2[CH2:8][CH:14]3[CH2:4][CH2:5][CH:18]4[CH:19]([CH2:11][CH:22]([OH:32])[C:28]5([CH3:3])[CH:17]([C:16](=[CH:10][C:23](=[O:33])[OH:34])[CH:26]([OH:36])[OH:37])[CH2:6][CH2:7][C:29]45[OH:38])[C:27]3([CH3:2])[CH:21]([OH:31])[CH2:9]2)[O:39]1 |
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