Mrv1533004261501382D 38 41 0 0 0 0 999 V2000 1.5787 -1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3741 -1.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9616 -1.7436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5818 -0.3661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9943 0.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1624 0.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5599 0.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0999 1.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5716 1.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7383 2.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5612 2.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2252 3.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4024 3.8952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8344 2.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1409 1.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6778 1.4981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9122 2.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3972 3.1229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6979 3.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1829 4.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5135 4.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7316 2.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0048 3.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2706 2.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0801 2.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 2.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7865 2.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6225 1.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4321 1.7003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3553 0.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5458 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2786 -0.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8210 -0.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6306 -0.6413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5539 -1.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0034 1.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7368 0.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1837 1.0614 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 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 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 10 15 1 0 0 0 0 7 15 1 0 0 0 0 15 16 2 0 0 0 0 9 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 17 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 31 36 1 0 0 0 0 24 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 5 38 1 0 0 0 0 9 38 1 0 0 0 0 M END > NP0243402 > NP-MRD > CC(=O)OC1C(=C)C2CC11C(OC(C)=O)C(=O)C3C(C)(C)C(O)CC(OC(C)=O)C3(C)C1C(C2)OC(C)=O > InChI=1S/C28H38O10/c1-12-17-9-18(35-13(2)29)22-27(8)20(36-14(3)30)10-19(33)26(6,7)23(27)21(34)25(38-16(5)32)28(22,11-17)24(12)37-15(4)31/h17-20,22-25,33H,1,9-11H2,2-8H3 > RPYGKZDOSOSDRG-UHFFFAOYSA-N > C28H38O10 > 534.602 > 534.246497424 > 6 > 76 > 54.51921852164086 > 1 > 1 > 0 > 0 > 2,8,11-tris(acetyloxy)-6-hydroxy-5,5,9-trimethyl-14-methylidene-3-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-yl acetate > 1.14 > 0.8241462586666677 > -4.07 > 1 > 4 > 0 > 15.104486638105925 > 14.418813192421652 > -2.970108656654224 > 142.5 > 130.1993 > 8 > 0 > 4.60e-02 g/l > 2,8,11-tris(acetyloxy)-6-hydroxy-5,5,9-trimethyl-14-methylidene-3-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-yl acetate > 0 > NP0243402 > 2,8,11-tris(acetyloxy)-6-hydroxy-5,5,9-trimethyl-14-methylidene-3-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-yl acetate $$$$