CDK 1028232201 36 41 0 0 0 0 0 0 0 0999 V2000 3.9151 -3.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1706 -2.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1063 -2.0052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4906 -3.2947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3618 -1.6498 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7461 -2.9392 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5549 -4.1172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6818 -2.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3693 -1.1757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9179 -1.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -3.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7535 -2.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8748 -4.5842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2994 -4.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2351 -3.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6891 -1.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8535 -0.3010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3215 -3.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1303 -4.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9392 -5.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3638 -5.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 0.0544 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5336 0.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6836 -5.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -5.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5837 -6.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0447 0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3645 0.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4693 0.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0006 -0.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3561 0.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7248 1.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 2 1 6 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 4 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 6 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 6 0 0 0 13 7 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 6 0 0 0 16 9 1 0 0 0 0 9 17 1 1 0 0 0 18 10 1 6 0 0 0 11 19 2 0 0 0 0 11 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 16 23 1 6 0 0 0 24 16 1 0 0 0 0 18 25 1 0 0 0 0 21 26 1 0 0 0 0 21 27 1 0 0 0 0 21 28 1 0 0 0 0 23 29 2 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 24 32 1 6 0 0 0 25 33 1 0 0 0 0 25 34 1 0 0 0 0 25 35 1 0 0 0 0 31 36 1 0 0 0 0 6 8 1 0 0 0 0 12 17 1 0 0 0 0 13 20 1 6 0 0 0 18 24 1 0 0 0 0 22 26 1 0 0 0 0 33 36 1 0 0 0 0 M END > CHEBI:198471 > Officinalic acid > 2 > (1S,3S,8S,9S,10S,13S,16S,21S,22R)-4,4,8,17,17,21-hexamethyl-14,23-dioxo-24,25-dioxahexacyclo[11.11.1.01,10.03,8.013,22.016,21]pentacosane-9-carboxylic acid > C30H44O6 > 500.676 > 500.31379 > 0 > O=C1O[C@]23O[C@]4([C@H]1[C@@]5([C@H](C(CCC5)(C)C)CC4=O)C)CC[C@H]2[C@H](C(=O)O)[C@]6(CCCC([C@@H]6C3)(C)C)C > InChI=1S/C30H44O6/c1-25(2)10-8-13-28(6)18(25)15-20(31)29-14-9-17-21(23(32)33)27(5)12-7-11-26(3,4)19(27)16-30(17,36-29)35-24(34)22(28)29/h17-19,21-22H,7-16H2,1-6H3,(H,32,33)/t17-,18-,19-,21+,22+,27-,28-,29+,30+/m0/s1 > ODGNNLIOBJLXBP-KCXSSTEISA-N $$$$