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jolkinol A

PropertiesImage
MNX_IDMNXM105899 Image of MNXM105899
referencechebi:67705
formulaC29H36O6
global charge0
mol weight480.601
InChIKeyZLHWPIKKGZWBKR-JARHKAFQSA-N
InChIInChI=1S/C29H36O6/c1-17-15-29(34-22(31)11-10-18-8-6-5-7-9-18)23(24(17)32)26-28(4,35-26)13-12-20-21(27(20,2)3)14-19(16-30)25(29)33/h5-11,14,17,20-21,23-24,26,30,32H,12-13,15-16H2,1-4H3/b11-10+,19-14+/t17-,20-,21+,23+,24-,26+,28+,29+/m0/s1
SMILESC[C@H]1C[C@]2(OC(=O)/C=C/C3=CC=CC=C3)C(=O)/C(CO)=C/[C@@H]3[C@H](CC[C@@]4(C)O[C@@H]4[C@H]2[C@H]1O)C3(C)C
MNX internals
InChI (mnx)InChI=1/C29H36O6/c1-17-15-29(34-22(31)11-10-18-8-6-5-7-9-18)23(24(17)32)26-28(4,35-26)13-12-20-21(27(20,2)3)14-19(16-30)25(29)33/h5-11,14,17,20-21,23-24,26,30,32H,12-13,15-16H2,1-4H3/b11-10+,19-14+/t17-,20-,21+,23+,24-,26+,28+,29+/m0/s1 Image of MNXM105899
SMILES (mnx)[CH3:1][C@H:17]1[CH2:15][C@@:29]2([O:34][C:22](/[CH:11]=[CH:10]/[C:18]3=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]3)=[O:31])[C@H:23]([C@H:24]1[OH:32])[C@@H:26]1[C@@:28]([CH3:4])([CH2:13][CH2:12][C@H:20]3[C@@H:21](/[CH:14]=[C:19](\[CH2:16][OH:30])[C:25]2=[O:33])[C:27]3([CH3:2])[CH3:3])[O:35]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:67705
chebi:67705
ZLHWPIKKGZWBKR-JARHKAFQSA-N 		jolkinol A
(1aR,1bR,2S,3S,4aR,6E,7aR,8aS,10aR)-2-hydroxy-6-(hydroxymethyl)-3,8,8,10a-tetramethyl-5-oxo-1a,1b,2,3,4,5,7a,8,8a,9,10,10a-dodecahydro-4aH-cyclopenta[10,11]cyclopropa[5,6]cycloundeca[1,2-b]oxiren-4a-yl (2E)-3-phenylprop-2-enoate