| Properties | Image |
|---|
| MNX_ID | MNXM106617 |
 |
| reference | chebi:70314 |
| formula | C30H44O6 |
| global charge | 0 |
| mol weight | 500.676 |
| InChIKey | ZWMDJBNGXKAIRO-PRBDMEKXSA-N |
| InChI | InChI=1S/C30H44O6/c1-15(17(3)28(35)36-7)8-9-16(2)19-10-11-20-24-23(32)14-21-18(4)22(31)12-13-29(21,5)25(24)26(33)27(34)30(19,20)6/h16-22,27,31,34H,1,8-14H2,2-7H3/t16-,17?,18+,19-,20+,21+,22-,27+,29+,30-/m1/s1 |
| SMILES | C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@@H]1CC3=O)C(C)C(=O)OC |
MNX internals
| InChI (mnx) | InChI=1/C30H44O6/c1-15(17(3)28(35)36-7)8-9-16(2)19-10-11-20-24-23(32)14-21-18(4)22(31)12-13-29(21,5)25(24)26(33)27(34)30(19,20)6/h16-22,27,31,34H,1,8-14H2,2-7H3/t16-,17?,18+,19-,20+,21+,22-,27+,29+,30-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:15]([CH2:8][CH2:9][C@@H:16]([CH3:2])[C@H:19]1[CH2:10][CH2:11][C@H:20]2[C:24]3=[C:25]([C:26](=[O:33])[C@H:27]([OH:34])[C@:30]12[CH3:6])[C@@:29]1([CH3:5])[CH2:13][CH2:12][C@@H:22]([OH:31])[C@@H:18]([CH3:4])[C@@H:21]1[CH2:14][C:23]3=[O:32])[CH:17]([CH3:3])[C:28](=[O:35])[O:36][CH3:7] |
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