Mrv2104 12212312012D 32 35 0 0 1 0 999 V2000 0.5549 -1.9309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -1.1104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6411 -0.2854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3556 -0.6979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 -0.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -0.2854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 0.1271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3556 0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 1.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 2.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 2.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 3.4271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 3.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 2.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 2.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 2.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 1.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 -1.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -1.3654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3984 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1536 -2.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1014 -3.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4507 -4.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1957 -4.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 -3.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1633 -4.5039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6112 -5.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4604 -3.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2054 -2.3215 0.0000 C 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 1 1 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 9 1 0 0 0 0 3 10 1 0 0 0 0 10 11 1 1 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 17 20 2 0 0 0 0 11 20 1 0 0 0 0 8 21 2 0 0 0 0 2 22 1 0 0 0 0 22 6 1 0 0 0 0 22 23 1 6 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 25 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 28 31 1 0 0 0 0 31 32 2 0 0 0 0 23 32 1 0 0 0 0 M END > NP0332271 > NP-MRD > [H][C@]12CO[C@@H](C3=CC(OC)=C(OC)C=C3)[C@]1([H])CC(=O)O[C@@H]2C1=CC=C(OC)C(OC)=C1 > InChI=1S/C23H26O7/c1-25-17-7-5-13(9-19(17)27-3)22-15-11-21(24)30-23(16(15)12-29-22)14-6-8-18(26-2)20(10-14)28-4/h5-10,15-16,22-23H,11-12H2,1-4H3/t15-,16+,22+,23-/m1/s1 > ZKZWIJKCIKFITF-JFOHNERASA-N > C23H26O7 > 414.454 > 414.167853177 > 6 > 56 > 44.250869752437225 > 1 > 0 > 0 > 1 > (1R,3aR,4S,7aR)-1,4-bis(3,4-dimethoxyphenyl)-hexahydro-1H-furo[3,4-c]pyran-6-one > 2.591764001333333 > 1 > 4 > 0 > -3.9317499634617663 > 72.45 > 108.51919999999998 > 6 > 1 > (1R,3aR,4S,7aR)-1,4-bis(3,4-dimethoxyphenyl)-hexahydrofuro[3,4-c]pyran-6-one > 0 > NP0332271 > Compound 12 $$$$