Mrv1652309122214012D 31 36 0 0 1 0 999 V2000 5.4282 1.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6573 1.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5017 1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0806 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6791 -0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4308 0.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0293 -0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8324 1.1206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4091 1.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5842 1.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1826 1.0955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7593 1.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6059 0.3874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2043 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3794 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9561 0.3623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5545 -0.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1312 0.3498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2299 -0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4114 -0.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1701 0.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0964 0.8741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7178 1.4167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5273 1.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9846 2.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2921 1.0579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1095 1.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9344 1.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3577 1.0830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2590 1.9020 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 2 9 1 0 0 0 0 9 10 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 0 0 0 0 7 14 1 0 0 0 0 14 15 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 1 0 0 0 17 19 1 0 0 0 0 19 20 1 6 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 6 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 24 26 1 6 0 0 0 23 27 1 0 0 0 0 19 27 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 17 30 1 0 0 0 0 12 30 1 0 0 0 0 30 31 1 6 0 0 0 M END > NP0328504 > NP-MRD > C[C@]12CC[C@H]([C@@H]3CO3)[C@H]1CC[C@@]1(C)[C@]3(C)CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@]21O > InChI=1S/C29H48O2/c1-24(2)12-7-13-25(3)22(24)10-15-27(5)23(25)11-17-29(30)26(4)14-8-19(21-18-31-21)20(26)9-16-28(27,29)6/h19-23,30H,7-18H2,1-6H3/t19-,20+,21-,22-,23+,25-,26-,27+,28-,29-/m0/s1 > FXADPHPUTINKDJ-ZYWSQZKCSA-N > C29H48O2 > 428.701 > 428.365430786 > 2 > 79 > 52.810463894546686 > 1 > 1 > 0 > 0 > (1R,2S,5R,6S,9S,10S,13R,14S,19S)-1,2,9,14,18,18-hexamethyl-6-[(2R)-oxiran-2-yl]pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosan-10-ol > 6.464167036333334 > 0 > 6 > 0 > 0.7500887145855556 > 32.76 > 126.14389999999999 > 1 > 0 > (1R,2S,5R,6S,9S,10S,13R,14S,19S)-1,2,9,14,18,18-hexamethyl-6-[(2R)-oxiran-2-yl]pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosan-10-ol > 1 > NP0328504 > (3s,3ar,5as,5br,7as,11as,11br,13as,13bs)-5a,5b,8,8,11a,13b-hexamethyl-3-[(2r)-oxiran-2-yl]-tetradecahydro-1h-cyclopenta[a]chrysen-13a-ol $$$$