| Properties | Image |
|---|
| MNX_ID | MNXM97325 |
 |
| reference | metacycM:CPD-14524 |
| formula | C35H60O4 |
| global charge | 0 |
| mol weight | 544.861 |
| InChIKey | UFPXRKFWJPZBAN-MLSRFAMJSA-N |
| InChI | InChI=1S/C35H60O4/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h21-30,37-39H,8-20H2,1-7H3/t22?,23?,24?,25?,26-,27?,28?,29?,30+,32-,33-,34+,35+/m0/s1 |
| SMILES | CC(CCC(O)[C@@H](O)[C@@H](O)C=O)C1CC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]3(C)CCCC(C)(C)C3CC[C@]21C |
MNX internals
| InChI (mnx) | InChI=1/C35H60O4/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h21-30,37-39H,8-20H2,1-7H3/t22?,23?,24?,25?,26-,27?,28?,29?,30+,32-,33-,34+,35+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:22]([CH2:9][CH2:10][CH:25]([C@H:30]([C@H:26]([CH:21]=[O:36])[OH:38])[OH:39])[OH:37])[CH:23]1[CH2:13][CH2:18][C@@:32]2([CH3:4])[CH:24]1[CH2:14][CH2:19][C@:34]1([CH3:6])[CH:28]2[CH2:11][CH2:12][CH:29]2[C@@:33]3([CH3:5])[CH2:17][CH2:8][CH2:16][C:31]([CH3:2])([CH3:3])[CH:27]3[CH2:15][CH2:20][C@:35]21[CH3:7] |
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