Mrv1652309122217182D 32 35 0 0 1 0 999 V2000 11.9949 3.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4646 4.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6521 4.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1218 4.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3093 4.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7790 5.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0272 3.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5575 3.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3699 3.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2753 2.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4628 2.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9325 2.7968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4023 2.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2181 3.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5036 2.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5036 1.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2181 1.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2181 0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3931 0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0431 0.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2181 -0.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7891 1.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7891 0.7343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0747 1.9718 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9884 1.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2900 1.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8051 2.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2900 3.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0747 2.7968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9884 3.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7891 3.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2147 3.5720 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 3 9 1 0 0 0 0 8 10 1 0 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 6 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 16 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 24 29 1 0 0 0 0 29 30 1 6 0 0 0 29 31 1 0 0 0 0 15 31 1 0 0 0 0 12 32 1 0 0 0 0 7 32 1 0 0 0 0 M END > NP0330195 > NP-MRD > COC1=CC(C)=C2O[C@@](C)(CC3=C(CC(C)(C)O)C(=O)[C@@]4(C)CCC[C@@]4(C)C3)CCC2=C1 > InChI=1S/C28H40O4/c1-18-13-21(31-7)14-19-9-12-27(5,32-23(18)19)16-20-15-26(4)10-8-11-28(26,6)24(29)22(20)17-25(2,3)30/h13-14,30H,8-12,15-17H2,1-7H3/t26-,27+,28+/m0/s1 > HISWTECQBAVTJH-UPRLRBBYSA-N > C28H40O4 > 440.624 > 440.292659768 > 4 > 72 > 51.18296489227769 > 1 > 1 > 0 > 0 > (3aS,7aS)-5-(2-hydroxy-2-methylpropyl)-6-{[(2R)-6-methoxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]methyl}-3a,7a-dimethyl-2,3,3a,4,7,7a-hexahydro-1H-inden-4-one > 6.019473516333333 > 0 > 4 > 0 > 15.309190718333255 > -2.6635599798010334 > 55.760000000000005 > 128.97749999999996 > 5 > 0 > (3aS,7aS)-5-(2-hydroxy-2-methylpropyl)-6-{[(2R)-6-methoxy-2,8-dimethyl-3,4-dihydro-1-benzopyran-2-yl]methyl}-3a,7a-dimethyl-1,2,3,7-tetrahydroinden-4-one > 0 > NP0330195 > (3as,7as)-5-(2-hydroxy-2-methylpropyl)-6-{[(2r)-6-methoxy-2,8-dimethyl-3,4-dihydro-1-benzopyran-2-yl]methyl}-3a,7a-dimethyl-1,2,3,7-tetrahydroinden-4-one $$$$