Mrv1652309032214552D 24 27 0 0 1 0 999 V2000 -1.3285 0.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6644 -0.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7562 -1.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5122 -1.4881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0921 -1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5426 -1.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7557 -0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0915 -0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1834 0.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9393 1.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4827 1.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5367 1.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6034 0.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5116 -0.1665 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2412 -0.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8662 -0.0129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6451 -0.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7990 -1.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5779 -1.3674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 -1.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3279 -2.4445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3951 -1.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8574 -1.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 -1.9574 0.0000 C 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 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 2 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 14 13 1 6 0 0 0 7 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 15 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 6 24 1 0 0 0 0 M END > NP0175453 > NP-MRD > CC1=C(O)C=C2CCC3=C(O)C(O)=CC=C3[C@H]3CC(C)(C)OC1=C23 > InChI=1S/C20H22O4/c1-10-16(22)8-11-4-5-13-12(6-7-15(21)18(13)23)14-9-20(2,3)24-19(10)17(11)14/h6-8,14,21-23H,4-5,9H2,1-3H3/t14-/m1/s1 > VKSWXZSFBSSEFC-CQSZACIVSA-N > C20H22O4 > 326.392 > 326.151809188 > 4 > 46 > 35.758238138778246 > 1 > 3 > 0 > 1 > (1R)-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.0^{2,7}.0^{14,18}]octadeca-2,4,6,10,12,14(18)-hexaene-5,6,12-triol > 3.43 > 4.583848784000001 > -4.15 > 0 > 4 > 0 > 10.227923613586553 > 9.450108140124563 > -4.882344925227886 > 69.92 > 93.39649999999999 > 0 > 1 > 2.32e-02 g/l > (1R)-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.0^{2,7}.0^{14,18}]octadeca-2,4,6,10,12,14(18)-hexaene-5,6,12-triol > 0 > NP0175453 > (1r)-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.0²,⁷.0¹⁴,¹⁸]octadeca-2,4,6,10,12,14(18)-hexaene-5,6,12-triol $$$$