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bauerenol

PropertiesImage
MNX_IDMNXM30302 Image of MNXM30302
referencemetacycM:CPDQT-50
formulaC30H50O
global charge0
mol weight426.729
InChIKeyTZVDWGXUGGUMCE-JVHXOXOBSA-N
InChIInChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)22-9-10-23-26(3,4)24(31)13-15-28(23,6)21(22)12-16-30(29,8)25(27)20(19)2/h9,19-21,23-25,31H,10-18H2,1-8H3/t19-,20+,21+,23+,24+,25-,27-,28-,29-,30+/m1/s1
SMILESC[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]12
MNX internals
InChI (mnx)InChI=1/C30H50O/c1-19-11-14-27(5)17-18-29(7)22-9-10-23-26(3,4)24(31)13-15-28(23,6)21(22)12-16-30(29,8)25(27)20(19)2/h9,19-21,23-25,31H,10-18H2,1-8H3/t19-,20+,21+,23+,24+,25-,27-,28-,29-,30+/m1/s1 Image of MNXM30302
SMILES (mnx)[CH3:1][C@@H:19]1[CH2:11][CH2:14][C@:27]2([CH3:5])[CH2:17][CH2:18][C@:29]3([CH3:7])[C:22]4=[CH:9][CH2:10][C@H:23]5[C:26]([CH3:3])([CH3:4])[C@@H:24]([OH:31])[CH2:13][CH2:15][C@:28]5([CH3:6])[C@H:21]4[CH2:12][CH2:16][C@@:30]3([CH3:8])[C@@H:25]2[C@H:20]1[CH3:2]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPDQT-50
metacycM:CPDQT-50
TZVDWGXUGGUMCE-JVHXOXOBSA-N 		bauerenol
(-)-bauerenol
(3S,4aR,6bS,8aR,11R,12S,12aR,12bS,14aR,14bR)-4,4,6b,8a,11,12,12b,14b-Octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3-picenol
D:C-friedours-7-en-3-ol, (3beta)-
baurenol

seed.compound:cpd29072
seedM:cpd29072
TZVDWGXUGGUMCE-JVHXOXOBSA-N 		CPDQT-50
(-)-bauerenol
(3S,4aR,6bS,8aR,11R,12S,12aR,12bS,14aR,14bR)-4,4,6b,8a,11,12,12b,14b-Octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3-picenol
D:C-friedours-7-en-3-ol, (3beta)-
bauerenol
baurenol

seedM:M_cpd29072 		secondary/obsolete/fantasy identifier