Mrv1533004171507282D 27 31 0 0 0 0 999 V2000 2.5798 4.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0413 3.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8643 3.5469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6799 2.7475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1414 2.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9620 2.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3926 1.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2437 1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 2.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6169 0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1655 -0.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3534 -0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9194 0.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1489 0.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5966 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6357 0.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1244 -0.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4790 0.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 -0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3411 -0.8423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7627 1.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9185 1.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6668 2.2372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3759 0.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5672 1.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0331 1.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2202 2.3878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 7 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 13 19 1 0 0 0 0 19 20 2 0 0 0 0 18 21 1 0 0 0 0 5 21 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 16 24 1 0 0 0 0 24 25 2 0 0 0 0 8 26 1 0 0 0 0 26 27 2 0 0 0 0 M END > NP0268705 > NP-MRD > CC(=O)OC1CC2C3(CCCC2(C)C=O)C2CC4CC(C3=O)C12C(O)C4=C > InChI=1S/C22H28O5/c1-11-13-7-14-19(26)21-6-4-5-20(3,10-23)15(21)9-17(27-12(2)24)22(14,18(11)25)16(21)8-13/h10,13-18,25H,1,4-9H2,2-3H3 > ZDNMDOAXDDWWQL-UHFFFAOYSA-N > C22H28O5 > 372.461 > 372.193674002 > 4 > 55 > 39.71721506933008 > 1 > 1 > 0 > 1 > 5-formyl-10-hydroxy-5-methyl-11-methylidene-15-oxopentacyclo[10.3.2.0¹,⁶.0⁹,¹⁴.0⁹,¹⁶]heptadecan-8-yl acetate > 1.57 > 1.752033597666667 > -3.36 > 0 > 5 > 0 > 17.10218501283892 > 14.03631271450693 > -3.219280479572584 > 80.67000000000002 > 97.33119999999997 > 3 > 1 > 1.63e-01 g/l > 5-formyl-10-hydroxy-5-methyl-11-methylidene-15-oxopentacyclo[10.3.2.0¹,⁶.0⁹,¹⁴.0⁹,¹⁶]heptadecan-8-yl acetate > 0 > NP0268705 > 5-formyl-10-hydroxy-5-methyl-11-methylidene-15-oxopentacyclo[10.3.2.0¹,⁶.0⁹,¹⁴.0⁹,¹⁶]heptadecan-8-yl acetate $$$$