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Ethyl abietate

PropertiesImage
MNX_IDMNXM125512 Image of MNXM125512
referencechebi:170129
formulaC22H34O2
global charge0
mol weight330.512
InChIKeyAGUBCDYYAKENKG-YVNJGZBMSA-N
InChIInChI=1S/C22H34O2/c1-6-24-20(23)22(5)13-7-12-21(4)18-10-8-16(15(2)3)14-17(18)9-11-19(21)22/h9,14-15,18-19H,6-8,10-13H2,1-5H3/t18-,19+,21+,22+/m0/s1
SMILESCCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C1C=C(C(C)C)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C22H34O2/c1-6-24-20(23)22(5)13-7-12-21(4)18-10-8-16(15(2)3)14-17(18)9-11-19(21)22/h9,14-15,18-19H,6-8,10-13H2,1-5H3/t18-,19+,21+,22+/m0/s1 Image of MNXM125512
SMILES (mnx)[CH3:1][CH2:6][O:24][C:20]([C@:22]1([CH3:5])[CH2:13][CH2:7][CH2:12][C@:21]2([CH3:4])[C@H:18]3[CH2:10][CH2:8][C:16]([CH:15]([CH3:2])[CH3:3])=[CH:14][C:17]3=[CH:9][CH2:11][C@H:19]21)=[O:23]
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:170129
chebi:170129
AGUBCDYYAKENKG-YVNJGZBMSA-N 		Ethyl abietate
ethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
hmdb:HMDB0032257
AGUBCDYYAKENKG-YVNJGZBMSA-N 		Ethyl abietate
Abietic acid ethyl ester
Abietic acid, ethyl ester
Ethyl (1R,4ar,4BR,10ar)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylic acid
Ethyl 13-isopropylpodocarpa-7,13-dien-15-Oate
Ethyl abietic acid
Podocarpa-7,13-dien-15-Oic acid, 13-isopropyl-, ethyl ester
ethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate
ethyl (1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate

hmdb:HMDB32257 		secondary/obsolete/fantasy identifier