| Properties | Image (std) | Image (mnx) |
MNX_ID | MNXM1375461 |
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reference | chebi:185981 |
formula (std) | C33H58O11 |
global charge (std) | 0 |
mol weight (std) | 630.816 |
InChIKey (std) | SFKLBZDYZMNXCK-OHVRGURYSA-N |
InChI (std) | InChI=1S/C33H58O11/c1-17(15-34)7-6-8-18(2)22-24(37)25(38)27-30(22,3)11-10-21-31(4)12-9-20(28(39)33(31,41)14-13-32(21,27)40)44-29-26(42-5)23(36)19(35)16-43-29/h17-29,34-41H,6-16H2,1-5H3/t17-,18+,19+,20-,21+,22-,23?,24+,25-,26-,27+,28-,29-,30+,31+,32-,33+/m0/s1 |
InChI (mnx) | InChI=1/C33H58O11/c1-17(15-34)7-6-8-18(2)22-24(37)25(38)27-30(22,3)11-10-21-31(4)12-9-20(28(39)33(31,41)14-13-32(21,27)40)44-29-26(42-5)23(36)19(35)16-43-29/h17-29,34-41H,6-16H2,1-5H3/t17-,18+,19+,20-,21+,22-,23?,24+,25-,26-,27+,28-,29-,30+,31+,32-,33+/m0/s1 |
SMILES (std) | CO[C@H]1C(O)[C@H](O)CO[C@H]1O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCC[C@H](C)CO)[C@@H](O)[C@H](O)[C@H]4[C@]3(O)CC[C@@]2(O)[C@H]1O |
SMILES (mnx) | [CH3:1][C@@H:17]([CH2:7][CH2:6][CH2:8][C@@H:18]([CH3:2])[C@H:22]1[C@@H:24]([OH:37])[C@H:25]([OH:38])[C@@H:27]2[C@:30]1([CH3:3])[CH2:11][CH2:10][C@@H:21]1[C@@:31]3([CH3:4])[CH2:12][CH2:9][C@H:20]([O:44][C@H:29]4[C@@H:26]([O:42][CH3:5])[CH:23]([OH:36])[C@H:19]([OH:35])[CH2:16][O:43]4)[C@H:28]([OH:39])[C@:33]3([OH:41])[CH2:14][CH2:13][C@:32]12[OH:40])[CH2:15][OH:34] |
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