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alpha-Amyrin acetate

PropertiesImage
MNX_IDMNXM118973 Image of MNXM118973
referencechebi:179068
formulaC32H52O2
global charge0
mol weight468.766
InChIKeyUDXDFWBZZQHDRO-NSTYLNEOSA-N
InChIInChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h10,20-21,24-27H,11-19H2,1-9H3/t20-,21+,24+,25-,26+,27+,29-,30+,31-,32-/m1/s1
SMILESCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C
MNX internals
InChI (mnx)InChI=1/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h10,20-21,24-27H,11-19H2,1-9H3/t20-,21+,24+,25-,26+,27+,29-,30+,31-,32-/m1/s1 Image of MNXM118973
SMILES (mnx)[CH3:1][C@@H:20]1[CH2:12][CH2:15][C@:29]2([CH3:6])[CH2:18][CH2:19][C@:31]3([CH3:8])[C:23](=[CH:10][CH2:11][C@@H:25]4[C@@:30]5([CH3:7])[CH2:16][CH2:14][C@H:26]([O:34][C:22]([CH3:3])=[O:33])[C:28]([CH3:4])([CH3:5])[C@@H:24]5[CH2:13][CH2:17][C@:32]43[CH3:9])[C@@H:27]2[C@H:21]1[CH3:2]
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:179068
chebi:179068
UDXDFWBZZQHDRO-NSTYLNEOSA-N 		alpha-Amyrin acetate
[(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate

CHEBI:184492
chebi:184492
UDXDFWBZZQHDRO-UHFFFAOYSA-N 		4,4,6a,6b,8a,11,12,14b-Octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl acetate
(4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl) acetate
hmdb:HMDB0036658
UDXDFWBZZQHDRO-UHFFFAOYSA-N 		alpha-Amyrin acetate
(3beta)-Olean-12-en-3-yl acetate
-Amyrenyl acetate
4,4,6a,6b,8a,11,12,14b-Octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl acetic acid
4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl acetate
4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl acetate
Acetate(3beta)-urs-12-en-3-ol
Amyrin acetate
Urs-12-en-3beta-ol, acetate
a-Amyrin acetate
a-Amyrin acetic acid
alpha
alpha-Amyrin acetic acid
alpha-amyrin acetate
alpha-amyrin acetic acid
beta-Amyrin acetate
hmdb:HMDB0302292
UDXDFWBZZQHDRO-FUOVXSCPSA-N 		alpha-Amyrin-acetate
(3S,6AR,6BS,8ar,11R,12S,12ar,14BR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl acetic acid
(3S,6aR,6bS,8aR,11R,12S,12aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl acetate
(3S,6aR,6bS,8aR,11R,12S,12aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl acetate
a-Amyrin-acetate
a-Amyrin-acetic acid
alpha-Amyrin-acetic acid
alpha-amyrin-acetate
alpha-amyrin-acetic acid

hmdb:HMDB36658 		secondary/obsolete/fantasy identifier