Search MNXref
 Feedback

caseargrewiin A

PropertiesImage
MNX_IDMNXM103550 Image of MNXM103550
referencechebi:65592
formulaC30H44O8
global charge0
mol weight532.674
InChIKeyOSFRHUJJEKKRCH-GTMUTZHESA-N
InChIInChI=1S/C30H44O8/c1-10-18(4)11-12-29(8)19(5)14-25(34-9)30-23(27(35-20(6)31)38-28(30)36-21(7)32)15-22(16-24(29)30)37-26(33)13-17(2)3/h10,15,17,19,22,24-25,27-28H,1,4,11-14,16H2,2-3,5-9H3/t19-,22+,24+,25+,27+,28-,29-,30-/m0/s1
SMILESC=CC(=C)CC[C@]1(C)[C@H]2C[C@H](OC(=O)CC(C)C)C=C3[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@@]32[C@H](OC)C[C@@H]1C
MNX internals
InChI (mnx)InChI=1/C30H44O8/c1-10-18(4)11-12-29(8)19(5)14-25(34-9)30-23(27(35-20(6)31)38-28(30)36-21(7)32)15-22(16-24(29)30)37-26(33)13-17(2)3/h10,15,17,19,22,24-25,27-28H,1,4,11-14,16H2,2-3,5-9H3/t19-,22+,24+,25+,27+,28-,29-,30-/m0/s1 Image of MNXM103550
SMILES (mnx)[CH2:1]=[CH:10][C:18](=[CH2:4])[CH2:11][CH2:12][C@@:29]1([CH3:8])[C@@H:19]([CH3:5])[CH2:14][C@@H:25]([O:34][CH3:9])[C@:30]23[C:23](=[CH:15][C@@H:22]([O:37][C:26]([CH2:13][CH:17]([CH3:2])[CH3:3])=[O:33])[CH2:16][C@H:24]12)[C@H:27]([O:35][C:20]([CH3:6])=[O:31])[O:38][C@@H:28]3[O:36][C:21]([CH3:7])=[O:32]
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:65592
chebi:65592
OSFRHUJJEKKRCH-GTMUTZHESA-N
caseargrewiin A
(1R*,3S*,5S*,6aR*,7S*,8S*,10R*,10aR*)-1,3-bis(acetyloxy)-10-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-5-yl 3-methylbutanoate
rel-(2S,5R,6R,8S,9S,10R,18S,19R)-18,19-diacetoxy-18,19-epoxy-6-methoxy-2-(3-methylbutanoyloxy)-cleroda-3,13(16),14-triene