Mrv1652309092212462D 30 35 0 0 0 0 999 V2000 2.0215 1.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3788 0.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5155 1.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8290 2.1813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9807 0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2001 0.7672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8328 -0.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1233 -0.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2988 -0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9081 -1.5326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9628 -0.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5982 0.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3898 0.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4361 -0.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7888 -1.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6124 -1.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1519 -0.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9689 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7138 -1.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6972 -1.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4769 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2939 -0.4191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1680 0.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3510 0.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8430 -0.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5060 0.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9847 -0.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2122 -0.8108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9207 0.3983 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 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 2 14 1 0 0 0 0 9 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 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 18 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 3 28 1 0 0 0 0 15 28 1 0 0 0 0 28 29 1 0 0 0 0 15 30 1 0 0 0 0 6 30 1 0 0 0 0 M END > NP0283491 > NP-MRD > CC1(C)C2CCC34CC5(C)C=C6C(=O)OCC36C(=C)C(C5=O)C4(O)C2(C)C=CC1=O > InChI=1S/C25H28O5/c1-13-17-18(27)21(4)10-14-19(28)30-12-24(13,14)23(11-21)9-6-15-20(2,3)16(26)7-8-22(15,5)25(17,23)29/h7-8,10,15,17,29H,1,6,9,11-12H2,2-5H3 > PVPGSCDIOLQZOG-UHFFFAOYSA-N > C25H28O5 > 408.494 > 408.193674002 > 4 > 58 > 42.717660726813484 > 1 > 1 > 0 > 1 > 2-hydroxy-3,7,7,13-tetramethyl-20-methylidene-17-oxahexacyclo[11.7.1.0^{2,11}.0^{3,8}.0^{11,19}.0^{15,19}]henicosa-4,14-diene-6,16,21-trione > 3.0884493146666663 > 0 > 6 > 0 > 13.237070295543425 > 11.539117543431637 > -3.453791009990777 > 80.67 > 111.01559999999998 > 0 > 1 > 2-hydroxy-3,7,7,13-tetramethyl-20-methylidene-17-oxahexacyclo[11.7.1.0^{2,11}.0^{3,8}.0^{11,19}.0^{15,19}]henicosa-4,14-diene-6,16,21-trione > 0 > NP0283491 > 2-hydroxy-3,7,7,13-tetramethyl-20-methylidene-17-oxahexacyclo[11.7.1.0²,¹¹.0³,⁸.0¹¹,¹⁹.0¹⁵,¹⁹]henicosa-4,14-diene-6,16,21-trione $$$$