Methyl (3R,4R,6ar,6BS,8ar,11R,12S,12ar,14BS)-3-(acetyloxy)-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylate

Properties Image MNX_ID MNXM117640 reference chebi:185173 formula C33H50O5 global charge 0 mol weight 526.758 InChIKey LFLJTCVAAOWHTD-BHPNAFPPSA-N InChI InChI=1S/C33H50O5/c1-19-10-13-29(4)16-17-31(6)22(26(29)20(19)2)18-23(35)27-30(5)14-12-25(38-21(3)34)33(8,28(36)37-9)24(30)11-15-32(27,31)7/h18-20,24-27H,10-17H2,1-9H3/t19-,20+,24?,25-,26+,27?,29-,30+,31-,32-,33-/m1/s1 SMILES COC(=O)[C@]1(C)C2CC[C@]3(C)C(C(=O)C=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@H]1OC(C)=O MNX internals InChI (mnx) InChI=1/C33H50O5/c1-19-10-13-29(4)16-17-31(6)22(26(29)20(19)2)18-23(35)27-30(5)14-12-25(38-21(3)34)33(8,28(36)37-9)24(30)11-15-32(27,31)7/h18-20,24-27H,10-17H2,1-9H3/t19-,20+,24?,25-,26+,27?,29-,30+,31-,32-,33-/m1/s1 SMILES (mnx) [CH3:1][C@@H:19]1[CH2:10][CH2:13][C@:29]2([CH3:4])[CH2:16][CH2:17][C@:31]3([CH3:6])[C:22](=[CH:18][C:23](=[O:35])[CH:27]4[C@@:30]5([CH3:5])[CH2:14][CH2:12][C@@H:25]([O:38][C:21]([CH3:3])=[O:34])[C@:33]([CH3:8])([C:28](=[O:36])[O:37][CH3:9])[CH:24]5[CH2:11][CH2:15][C@:32]43[CH3:7])[C@@H:26]2[C@H:20]1[CH3:2]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0