| Properties | Image |
MNX_ID | MNXM103550 |
 |
reference | chebi:65592 |
formula | C30H44O8 |
global charge | 0 |
mol weight | 532.674 |
InChIKey | OSFRHUJJEKKRCH-GTMUTZHESA-N |
InChI | InChI=1S/C30H44O8/c1-10-18(4)11-12-29(8)19(5)14-25(34-9)30-23(27(35-20(6)31)38-28(30)36-21(7)32)15-22(16-24(29)30)37-26(33)13-17(2)3/h10,15,17,19,22,24-25,27-28H,1,4,11-14,16H2,2-3,5-9H3/t19-,22+,24+,25+,27+,28-,29-,30-/m0/s1 |
SMILES | C=CC(=C)CC[C@]1(C)[C@H]2C[C@H](OC(=O)CC(C)C)C=C3[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@@]32[C@H](OC)C[C@@H]1C |
MNX internals
InChI (mnx) | InChI=1/C30H44O8/c1-10-18(4)11-12-29(8)19(5)14-25(34-9)30-23(27(35-20(6)31)38-28(30)36-21(7)32)15-22(16-24(29)30)37-26(33)13-17(2)3/h10,15,17,19,22,24-25,27-28H,1,4,11-14,16H2,2-3,5-9H3/t19-,22+,24+,25+,27+,28-,29-,30-/m0/s1 |
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SMILES (mnx) | [CH2:1]=[CH:10][C:18](=[CH2:4])[CH2:11][CH2:12][C@@:29]1([CH3:8])[C@@H:19]([CH3:5])[CH2:14][C@@H:25]([O:34][CH3:9])[C@:30]23[C:23](=[CH:15][C@@H:22]([O:37][C:26]([CH2:13][CH:17]([CH3:2])[CH3:3])=[O:33])[CH2:16][C@H:24]12)[C@H:27]([O:35][C:20]([CH3:6])=[O:31])[O:38][C@@H:28]3[O:36][C:21]([CH3:7])=[O:32] |
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