Mrv1533004201502432D 28 33 0 0 0 0 999 V2000 0.7071 5.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 5.7591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9554 5.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7803 5.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2036 4.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 3.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2253 2.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 2.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4735 2.2311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2984 2.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7218 1.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5467 1.5480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3202 0.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4953 0.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0720 1.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2470 1.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8237 2.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9988 2.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5972 1.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7723 1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2297 0.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4553 1.9845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 2.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7506 2.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5755 2.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9771 3.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5538 4.3303 0.0000 C 0 0 0 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 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 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 9 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 7 17 2 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 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 20 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 18 26 1 0 0 0 0 26 27 1 0 0 0 0 6 27 1 0 0 0 0 27 28 2 0 0 0 0 3 28 1 0 0 0 0 M END > NP0276478 > NP-MRD > COC1=CC=C2C3=C(CC4CCC(O)CN4C3)C3=CC4=C(OCO4)C=C3C2=C1 > InChI=1S/C23H23NO4/c1-26-15-4-5-16-18(7-15)20-9-23-22(27-12-28-23)8-19(20)17-6-13-2-3-14(25)10-24(13)11-21(16)17/h4-5,7-9,13-14,25H,2-3,6,10-12H2,1H3 > SKOPGSSLKSDTHF-UHFFFAOYSA-N > C23H23NO4 > 377.44 > 377.162708225 > 5 > 51 > 42.628985958391596 > 1 > 1 > 0 > 1 > 13-methoxy-5,7-dioxa-19-azahexacyclo[15.8.0.0²,¹⁰.0⁴,⁸.0¹¹,¹⁶.0¹⁹,²⁴]pentacosa-1(17),2,4(8),9,11,13,15-heptaen-21-ol > 3.54 > 3.2342763993333334 > -4.19 > 0 > 6 > 1 > 14.884747729314288 > 7.386356853526449 > 51.16000000000001 > 106.2145 > 1 > 1 > 2.43e-02 g/l > 13-methoxy-5,7-dioxa-19-azahexacyclo[15.8.0.0²,¹⁰.0⁴,⁸.0¹¹,¹⁶.0¹⁹,²⁴]pentacosa-1(17),2,4(8),9,11,13,15-heptaen-21-ol > 0 > NP0276478 > 13-methoxy-5,7-dioxa-19-azahexacyclo[15.8.0.0²,¹⁰.0⁴,⁸.0¹¹,¹⁶.0¹⁹,²⁴]pentacosa-1(17),2(10),3,8,11(16),12,14-heptaen-21-ol $$$$