Mrv1652309032212492D 23 26 0 0 1 0 999 V2000 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9280 -0.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4130 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0261 -0.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0261 -1.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 -1.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 5 14 1 0 0 0 0 14 15 2 0 0 0 0 2 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 6 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 22 21 1 6 0 0 0 16 22 1 0 0 0 0 22 23 1 0 0 0 0 13 23 1 0 0 0 0 M END > NP0173662 > NP-MRD > CC(C)C1=CC2=CC=C(C)C3=C2C(O[C@H]2CC(C)(C)O[C@@H]32)=C1O > InChI=1S/C20H24O3/c1-10(2)13-8-12-7-6-11(3)15-16(12)19(17(13)21)22-14-9-20(4,5)23-18(14)15/h6-8,10,14,18,21H,9H2,1-5H3/t14-,18+/m0/s1 > WIXCPTLCMKUWBG-KBXCAEBGSA-N > C20H24O3 > 312.409 > 312.172544633 > 3 > 47 > 35.46874544916747 > 1 > 1 > 0 > 1 > (10S,14S)-8,12,12-trimethyl-3-(propan-2-yl)-11,15-dioxatetracyclo[7.6.1.0^{5,16}.0^{10,14}]hexadeca-1,3,5,7,9(16)-pentaen-2-ol > 4.61 > 4.669288946999999 > -5.03 > 0 > 4 > 0 > 10.217613024382027 > -4.160776755118672 > 38.69 > 91.0762 > 1 > 1 > 2.94e-03 g/l > (10S,14S)-3-isopropyl-8,12,12-trimethyl-11,15-dioxatetracyclo[7.6.1.0^{5,16}.0^{10,14}]hexadeca-1,3,5,7,9(16)-pentaen-2-ol > 1 > NP0173662 > (10s,14s)-3-isopropyl-8,12,12-trimethyl-11,15-dioxatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁴]hexadeca-1(16),2,4,6,8-pentaen-2-ol $$$$