Mrv1652309122217362D 34 39 0 0 1 0 999 V2000 -1.6295 1.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0668 0.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7256 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5256 1.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2339 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 0.2739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7847 -0.2673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1814 -0.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2579 0.4086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0468 0.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7057 0.6640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0613 -0.6574 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3836 0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2024 0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 -0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3767 -1.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8733 -1.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6921 -1.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0144 -1.0144 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8332 -0.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7901 -1.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6371 -1.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1555 -0.1543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9744 -0.0537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6590 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8401 0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5178 -0.3556 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0213 0.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5579 -1.3162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9828 -2.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0847 -1.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2958 -1.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2813 -0.9261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6418 0.0883 0.0000 O 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 7 8 1 6 0 0 0 7 9 1 6 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 12 10 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 19 18 1 1 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 6 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 15 27 1 0 0 0 0 19 27 1 0 0 0 0 27 28 1 6 0 0 0 16 29 1 0 0 0 0 12 29 1 0 0 0 0 29 30 1 1 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 33 32 1 6 0 0 0 7 33 1 0 0 0 0 12 33 1 0 0 0 0 6 34 1 0 0 0 0 2 34 1 0 0 0 0 M END > NP0330351 > NP-MRD > CC1(C)CC[C@@H](O1)[C@@]1(C)OC(=O)[C@]23CC=C4C(=CC[C@@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC[C@H]13 > InChI=1S/C30H44O4/c1-25(2)14-13-23(33-25)29(7)21-11-16-28(6)19-8-9-20-26(3,4)22(31)12-15-27(20,5)18(19)10-17-30(21,28)24(32)34-29/h8,10,20-23,31H,9,11-17H2,1-7H3/t20-,21-,22+,23-,27-,28+,29+,30-/m1/s1 > IQOVFEBNUSZOPR-KVOQZSJNSA-N > C30H44O4 > 468.678 > 468.323959897 > 3 > 78 > 54.560367724148364 > 1 > 1 > 0 > 0 > (2S,5S,6S,9S,13S,16S,18S)-6-[(2R)-5,5-dimethyloxolan-2-yl]-16-hydroxy-2,6,13,17,17-pentamethyl-7-oxapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icosa-1(20),11-dien-8-one > 4.906972124666667 > 0 > 6 > 0 > 19.618794118232092 > -0.7783764390554239 > 55.760000000000005 > 134.4059 > 1 > 1 > (2S,5S,6S,9S,13S,16S,18S)-6-[(2R)-5,5-dimethyloxolan-2-yl]-16-hydroxy-2,6,13,17,17-pentamethyl-7-oxapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icosa-1(20),11-dien-8-one > 0 > NP0330351 > (2s,5s,6s,9s,13s,16s,18s)-6-[(2r)-5,5-dimethyloxolan-2-yl]-16-hydroxy-2,6,13,17,17-pentamethyl-7-oxapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icosa-1(20),11-dien-8-one $$$$