Ketcher 12041911052D 1 1.00000 0.00000 0 22 23 0 1 0 999 V2000 6.6546 -6.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5251 -6.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 -6.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 -7.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9134 -6.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0428 -6.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0428 -7.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5251 -7.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6546 -8.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9134 -8.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 -5.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 -8.8185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4159 -9.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4108 -9.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3957 -6.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6546 -5.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -4.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -3.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3958 -3.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6547 -3.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2664 -3.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4977 -5.8788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 3 11 1 1 0 0 3 4 1 0 0 0 3 5 1 0 0 0 6 5 1 0 0 0 7 6 1 0 0 0 8 2 1 0 0 0 9 8 1 0 0 0 4 9 1 0 0 0 4 10 1 0 0 0 7 10 1 0 0 0 4 12 1 6 0 0 13 10 1 0 0 0 14 10 1 0 0 0 2 15 1 6 0 0 1 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 18 20 2 0 0 0 19 21 2 0 0 0 1 22 1 6 0 0 M END > CHEBI:145549 > labd-13(16),14-diene-9-ol > A labdane diterpenoid resulting from the formal dehydration of the allylic hydroxy group of peregrinol. > 3 > labd-13(16),14-diene-9-ol > (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-(3-methylenepent-4-en-1-yl)decahydronaphthalen-1-ol > C20H34O > 290.491 > 290.26097 > 0 > [C@]1([C@@H](CC[C@@]2([C@]1(C)CCCC2(C)C)[H])C)(CCC(C=C)=C)O > InChI=1S/C20H34O/c1-7-15(2)11-14-20(21)16(3)9-10-17-18(4,5)12-8-13-19(17,20)6/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17+,19+,20-/m1/s1 > PDMYSSCHAFCEEN-LCLWPZTBSA-N > 29315936 $$$$