Mol:BMCCCC--q031
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 1 0 0 0 0 0999 V2000 20.9122 -17.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0226 -16.6205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7445 -16.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9122 -18.6449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0418 -15.3260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.3389 -16.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1242 -17.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6149 -17.3250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7380 -15.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8334 -19.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1968 -14.6469 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8995 -14.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0229 -13.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3516 -15.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5895 -18.6006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4536 -16.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6470 -15.7962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1904 -13.2635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4663 -19.3303 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.2986 -17.3377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3770 -12.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0610 -12.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3113 -18.6703 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3299 -20.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0120 -20.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5766 -13.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1182 -19.3684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7695 -12.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9690 -13.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1619 -12.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9753 -14.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5675 -14.3669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6719 -19.7810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1777 -11.6010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 2 7 1 6 0 0 3 8 1 0 0 0 3 9 1 0 0 0 4 10 1 0 0 0 5 11 1 0 0 0 5 12 1 0 0 0 5 13 1 1 0 0 6 14 1 0 0 0 8 15 1 0 0 0 8 16 1 0 0 0 8 17 1 1 0 0 11 18 1 0 0 0 15 19 1 0 0 0 16 20 1 0 0 0 18 21 1 0 0 0 18 22 1 6 0 0 19 23 1 0 0 0 19 24 1 1 0 0 19 25 1 6 0 0 21 26 1 0 0 0 23 27 1 1 0 0 26 28 1 0 0 0 28 29 2 0 0 0 29 30 1 0 0 0 29 31 1 0 0 0 9 12 1 0 0 0 10 15 1 0 0 0 11 14 1 0 0 0 20 23 1 0 0 0 11 32 1 6 0 0 15 33 1 6 0 0 18 34 1 1 0 0 S SKP 7 NAME (3S,5R,10S,13R,14R,17R) -4,4,10,13,14-Pentamethyl-17- [(2R) -6-methylhept-5-en-2-yl] -2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenant CAS_RN 79-63-0 ID BMCCCC--q031 FORMULA C30H50O EXACTMASS 426.386166222 AVERAGEMASS 426.7174 SMILES C([C@@]4(C)1)C[C@H](O)C(C)(C)[C@](CCC(=C34)[C@]([C@@](CC3)(C)2)(C)CC[C@]2([H])[C@]([H])(C)CCC=C(C)C)1[H] SMILES C([C@@]4(C)1)C[C@H](O)C(C)(C)[C@](CCC(=C34)[C@]([C@@](CC3)(C)2)(C)CC[C@]2([H])[C@]([H])(C)CCC=C(C)C)1[H] M END
