| Properties | Image |
MNX_ID | MNXM101671 |
 |
reference | chebi:65722 |
formula | C30H52O6 |
global charge | 0 |
mol weight | 508.74 |
InChIKey | YLRZIFDQYSWFML-ZOFAZQJHSA-N |
InChI | InChI=1S/C30H52O6/c1-16(2)18(31)14-23(35)30(8,36)17-9-12-28(6)24(17)19(32)13-21-27(5)11-10-22(34)26(3,4)25(27)20(33)15-29(21,28)7/h17-25,31-36H,1,9-15H2,2-8H3/t17-,18-,19+,20-,21+,22-,23?,24-,25-,27+,28+,29+,30+/m0/s1 |
SMILES | C=C(C)[C@@H](O)CC(O)[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C |
MNX internals
InChI (mnx) | InChI=1/C30H52O6/c1-16(2)18(31)14-23(35)30(8,36)17-9-12-28(6)24(17)19(32)13-21-27(5)11-10-22(34)26(3,4)25(27)20(33)15-29(21,28)7/h17-25,31-36H,1,9-15H2,2-8H3/t17-,18-,19+,20-,21+,22-,23?,24-,25-,27+,28+,29+,30+/m0/s1 |
 |
SMILES (mnx) | [CH2:1]=[C:16]([CH3:2])[C@H:18]([CH2:14][CH:23]([C@@:30]([CH3:8])([C@H:17]1[CH2:9][CH2:12][C@:28]2([CH3:6])[C@@H:24]1[C@H:19]([OH:32])[CH2:13][C@@H:21]1[C@@:27]3([CH3:5])[CH2:11][CH2:10][C@H:22]([OH:34])[C:26]([CH3:3])([CH3:4])[C@@H:25]3[C@@H:20]([OH:33])[CH2:15][C@:29]12[CH3:7])[OH:36])[OH:35])[OH:31] |
|