Mrv1652309122200012D 29 33 0 0 1 0 999 V2000 5.9190 -0.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2894 0.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4082 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9383 0.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1161 0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7573 -0.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2337 -0.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0559 -0.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 -1.3057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9722 -2.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5891 -2.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9553 -1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5988 -1.8424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9737 -0.2086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1541 0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5082 1.3124 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8402 1.9693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6482 1.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5623 0.8030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2451 0.0864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 1.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6459 0.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6114 2.2662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6904 0.5500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6277 -0.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1744 -0.5987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1209 -0.5681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1986 0.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4359 1.0419 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1 2 1 0 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 10 11 1 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 14 12 1 1 0 0 0 6 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 6 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 19 24 1 0 0 0 0 24 25 1 6 0 0 0 26 25 1 1 0 0 0 14 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 29 28 1 6 0 0 0 16 29 1 0 0 0 0 24 29 1 0 0 0 0 M END > NP0320402 > NP-MRD > CON1C(=O)[C@@]2(C[C@@H]3NC[C@](O)(C(C)O)[C@@H]4C[C@H]2OC[C@H]34)C2=CC=C(OC)C=C12 > InChI=1S/C21H28N2O6/c1-11(24)21(26)10-22-16-8-20(18-7-15(21)13(16)9-29-18)14-5-4-12(27-2)6-17(14)23(28-3)19(20)25/h4-6,11,13,15-16,18,22,24,26H,7-10H2,1-3H3/t11?,13-,15+,16-,18+,20-,21-/m0/s1 > OYNGPTMOJVLTLS-UMKQTHISSA-N > C21H28N2O6 > 404.463 > 404.19473663 > 7 > 57 > 42.2870690817465 > 1 > 3 > 0 > 1 > (1'R,3S,4'S,7'S,8'R,9'S)-7'-hydroxy-7'-(1-hydroxyethyl)-1,6-dimethoxy-1,2-dihydro-11'-oxa-5'-azaspiro[indole-3,2'-tricyclo[6.3.1.0^{4,9}]dodecane]-2-one > -0.35040116799999915 > 0 > 5 > 1 > 15.055378825009633 > 13.227310523379053 > 9.313093169462856 > 100.49000000000001 > 103.30220000000001 > 3 > 1 > (1'R,3S,4'S,7'S,8'R,9'S)-7'-hydroxy-7'-(1-hydroxyethyl)-1,6-dimethoxy-11'-oxa-5'-azaspiro[indole-3,2'-tricyclo[6.3.1.0^{4,9}]dodecane]-2-one > 0 > NP0320402 > (1'r,3s,4's,7's,8'r,9's)-7'-hydroxy-7'-(1-hydroxyethyl)-1,6-dimethoxy-11'-oxa-5'-azaspiro[indole-3,2'-tricyclo[6.3.1.0⁴,⁹]dodecan]-2-one $$$$