| Properties | Image |
|---|
| MNX_ID | MNXM1184057 |
 |
| reference | envipathM:...2ce409af7441 |
| formula | C29H41O11 |
| global charge | -1 |
| mol weight | 565.636 |
| InChIKey | WWYCBQUIZLESGL-UHFFFAOYSA-M |
| InChI | InChI=1S/C29H42O11/c1-13-26(37)21(32)11-25(39-13)40-15-7-19-20(31)9-18-17(27(19,2)22(33)8-15)10-23(34)28(3)16(4-5-29(18,28)38)14(12-30)6-24(35)36/h6,12-13,15-23,25,31-34,38H,4-5,7-11H2,1-3H3,(H,35,36)/p-1 |
| SMILES | CC1OC(OC2CC(O)C3(C)C(C2)C(O)CC2C3CC(O)C3(C)C(C(C=O)=CC(=O)[O-])CCC23O)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C29H42O11/c1-13-26(37)21(32)11-25(39-13)40-15-7-19-20(31)9-18-17(27(19,2)22(33)8-15)10-23(34)28(3)16(4-5-29(18,28)38)14(12-30)6-24(35)36/h6,12-13,15-23,25,31-34,38H,4-5,7-11H2,1-3H3,(H,35,36)/b14-6?/t13?,15?,16?,17?,18?,19?,20?,21?,22?,23?,25?,27?,28?,29? |
 |
| SMILES (mnx) | [CH3:1][CH:13]1[C:26](=[O:37])[CH:21]([OH:32])[CH2:11][CH:25]([O:40][CH:15]2[CH2:7][CH:19]3[CH:20]([OH:31])[CH2:9][CH:18]4[CH:17]([CH2:10][CH:23]([OH:34])[C:28]5([CH3:3])[CH:16]([C:14](=[CH:6][C:24](=[O:35])[OH:36])[CH:12]=[O:30])[CH2:4][CH2:5][C:29]45[OH:38])[C:27]3([CH3:2])[CH:22]([OH:33])[CH2:8]2)[O:39]1 |
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