| Properties | Image |
|---|
| MNX_ID | MNXM1176427 |
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| reference | envipathM:...80c86850d452 |
| formula | C29H45O12 |
| global charge | -1 |
| mol weight | 585.667 |
| InChIKey | JRZQILYOWNENGJ-UHFFFAOYSA-M |
| InChI | InChI=1S/C29H46O12/c1-14-23(36)17(31)9-22(40-14)41-16-5-6-25(2)15(8-16)4-7-28(38)19(25)10-20(33)26(3)24(18(32)11-29(26,28)39)27(37,13-30)12-21(34)35/h14-20,22,24,30-33,37-39H,4-13H2,1-3H3,(H,34,35)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4(O)C3CC(O)C3(C)C(C(O)(CO)CC(=O)[O-])C(O)CC43O)C2)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C29H46O12/c1-14-23(36)17(31)9-22(40-14)41-16-5-6-25(2)15(8-16)4-7-28(38)19(25)10-20(33)26(3)24(18(32)11-29(26,28)39)27(37,13-30)12-21(34)35/h14-20,22,24,30-33,37-39H,4-13H2,1-3H3,(H,34,35)/t14?,15?,16?,17?,18?,19?,20?,22?,24?,25?,26?,27?,28?,29? |
 |
| SMILES (mnx) | [CH3:1][CH:14]1[C:23](=[O:36])[CH:17]([OH:31])[CH2:9][CH:22]([O:41][CH:16]2[CH2:5][CH2:6][C:25]3([CH3:2])[CH:15]([CH2:4][CH2:7][C:28]4([OH:38])[CH:19]3[CH2:10][CH:20]([OH:33])[C:26]3([CH3:3])[CH:24]([C:27]([CH2:12][C:21](=[O:34])[OH:35])([CH2:13][OH:30])[OH:37])[CH:18]([OH:32])[CH2:11][C:29]34[OH:39])[CH2:8]2)[O:40]1 |
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