Mrv1533004251506512D 38 41 0 0 0 0 999 V2000 2.9616 -1.7436 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 1.5787 -1.3837 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 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 3.8156 3.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0888 4.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3531 2.9396 0.0000 C 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 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 0.1409 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 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 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 27 32 1 0 0 0 0 20 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 5 34 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 7 37 1 0 0 0 0 37 38 2 0 0 0 0 M END > NP0275905 > NP-MRD > CC(=O)OC1CC2CC3(C(OC(C)=O)C(OC(C)=O)C4C(C)(C)C(O)CC(OC(C)=O)C4(C)C13)C(=O)C2=C > 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(37-15(4)31)25(38-16(5)32)28(22,11-17)24(12)34/h17-23,25,33H,1,9-11H2,2-8H3 > OSKSJKKACYXKDD-UHFFFAOYSA-N > C28H38O10 > 534.602 > 534.246497424 > 6 > 76 > 54.55447982808245 > 1 > 1 > 0 > 0 > 2,3,8-tris(acetyloxy)-6-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-11-yl acetate > 1.28 > 1.1543489283333348 > -4.03 > 1 > 4 > 0 > 14.619788133500634 > -2.9651046704068227 > 142.5 > 130.3773 > 8 > 0 > 4.96e-02 g/l > 2,3,8-tris(acetyloxy)-6-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-11-yl acetate > 0 > NP0275905 > 2,3,8-tris(acetyloxy)-6-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-11-yl acetate $$$$