ACD/Labs10142115262D 36 39 0 0 1 0 0 0 0 0 1 V2000 16.5194 -15.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5194 -17.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6672 -17.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6672 -15.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8151 -15.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8169 -17.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9631 -17.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1152 -17.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9597 -15.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1065 -15.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1192 -13.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9610 -13.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2660 -13.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2489 -15.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3790 -15.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5334 -15.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5503 -14.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4130 -13.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0939 -14.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2357 -16.6269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7112 -13.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8537 -14.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4281 -12.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5875 -11.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2560 -12.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1282 -11.9801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9808 -11.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9900 -9.9774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8245 -11.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9520 -16.6202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3318 -19.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0018 -19.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8169 -18.6219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8151 -14.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2840 -11.3230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7298 -12.0316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 8 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 8 10 1 0 0 0 0 9 10 1 0 0 0 0 3 6 1 0 0 0 0 5 4 1 0 0 0 0 10 19 1 1 0 0 0 5 6 1 0 0 0 0 14 20 1 6 0 0 0 17 21 1 0 0 0 0 9 12 1 0 0 0 0 21 22 1 0 0 0 0 10 14 1 0 0 0 0 18 23 1 1 0 0 0 13 11 1 0 0 0 0 23 24 2 0 0 0 0 11 12 1 0 0 0 0 13 25 1 1 0 0 0 13 14 1 0 0 0 0 11 26 1 6 0 0 0 1 2 1 0 0 0 0 26 27 1 0 0 0 0 1 4 1 0 0 0 0 27 28 2 0 0 0 0 2 3 1 0 0 0 0 27 29 1 0 0 0 0 5 9 1 0 0 0 0 9 30 1 6 0 0 0 6 7 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 6 33 1 6 0 0 0 5 34 1 1 0 0 0 23 35 1 0 0 0 0 21 36 2 0 0 0 0 M END > CHEBI:67731 > scalaradial > A scalarane sesterterpenoid with formula C27H40O4. It is a natural product found in the marine sponges Spongia officinalis and Cacospongia mollior, and exhibits anti-inflammatory activity. > 3 > (+)-scalaradial > (4aS,4bR,6S,6aS,7R,10aS,10bR,12aS)-7,8-diformyl-1,1,4a,6a,10b-pentamethyl-1,2,3,4,4a,4b,5,6,6a,7,10,10a,10b,11,12,12a-hexadecahydrochrysen-6-yl acetate > C27H40O4 > 428.613 > 428.29266 > 0 > [H]C(=O)[C@H]1C(=CC[C@@]2([H])[C@]3(C)CC[C@@]4([H])C(C)(C)CCC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)C([H])=O > InChI=1S/C27H40O4/c1-17(30)31-23-14-22-25(4)12-7-11-24(2,3)20(25)10-13-26(22,5)21-9-8-18(15-28)19(16-29)27(21,23)6/h8,15-16,19-23H,7,9-14H2,1-6H3/t19-,20-,21-,22+,23-,25-,26-,27+/m0/s1 > ADWFEADZGIHPDE-QGERINELSA-N > 53527-28-9 > 53527-28-9 > C00043907 > 15620263; 15645482; 17579085; 17691073; 18000710; 1930288; 21548580; 22509253; 23008213; 24769547; 29019677; 33665446; 7575673; 8185681; 8688196; 9060998 $$$$