Mrv1652309122202522D 33 39 0 0 1 0 999 V2000 7.8144 1.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5443 0.7243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7342 0.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6540 -0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1139 0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3839 1.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1941 1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8439 1.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0337 1.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7637 0.7243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3038 0.1007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0337 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2236 -0.8348 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4135 -0.9907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6835 -0.2111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8734 -0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3333 0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6033 1.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4135 1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6835 1.9716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9535 0.5684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2236 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0844 0.1007 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8945 0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4346 -0.3671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0583 0.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9747 -0.9907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1646 -1.1466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3205 -1.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3544 -1.3025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0844 -2.0821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8144 -0.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 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 3 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 11 10 1 1 0 0 0 11 12 1 0 0 0 0 12 6 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 16 15 1 6 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 11 22 1 0 0 0 0 16 22 1 0 0 0 0 22 23 1 1 0 0 0 24 2 1 6 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 1 0 0 0 29 31 1 0 0 0 0 31 32 1 6 0 0 0 31 33 1 0 0 0 0 24 33 1 0 0 0 0 M END > NP0322225 > NP-MRD > C[C@H]([C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)C1=CC=C2[C@@H]3C[C@@H]4O[C@@]44CC=CC(=O)[C@]4(C)[C@H]3CCC2=C1 > InChI=1S/C28H34O5/c1-15(21-14-25(2)27(4,33-25)24(30)31-21)16-7-9-18-17(12-16)8-10-20-19(18)13-23-28(32-23)11-5-6-22(29)26(20,28)3/h5-7,9,12,15,19-21,23-24,30H,8,10-11,13-14H2,1-4H3/t15-,19-,20-,21-,23-,24+,25-,26-,27+,28-/m0/s1 > CPHPTFZOHUSPRV-XQSLCPIPSA-N > C28H34O5 > 450.575 > 450.240624195 > 5 > 67 > 50.67784118210515 > 1 > 1 > 0 > 1 > (1S,2R,7R,9S,11R)-15-[(1S)-1-[(1S,2R,4S,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-2-methyl-8-oxapentacyclo[9.8.0.0^{2,7}.0^{7,9}.0^{12,17}]nonadeca-4,12,14,16-tetraen-3-one > 4.558062427333331 > 0 > 7 > 0 > 14.629197791289702 > 11.168845457356575 > -3.7938271880112917 > 71.59 > 124.2568 > 2 > 1 > (1S,2R,7R,9S,11R)-15-[(1S)-1-[(1S,2R,4S,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-2-methyl-8-oxapentacyclo[9.8.0.0^{2,7}.0^{7,9}.0^{12,17}]nonadeca-4,12,14,16-tetraen-3-one > 0 > NP0322225 > (4ar,5as,6ar,12as,12br)-9-[(1s)-1-[(1s,2r,4s,6s)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-12b-methyl-4h,5ah,6h,6ah,11h,12h,12ah-chryseno[6,6a-b]oxiren-1-one $$$$