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bauerenol

Properties

Image

Occurences in reactions

MNX_ID

MNXM30302

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₃₀H₅₀O

charge

mass

426.38617

reference

metacycM:CPDQT-50

InChIKey

TZVDWGXUGGUMCE-JVHXOXOBSA-N

InChI

InChI=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

SMILES

C[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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPDQT-50 metacycM:CPDQT-50	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	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