Marvin 06251210492D 21 23 0 0 1 0 999 V2000 0.7145 0.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4005 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -0.4245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 0.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.8370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 1.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4291 2.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7146 1.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7146 -1.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -1.2493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1436 1.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 2.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 2.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5725 1.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 3 11 1 1 0 0 0 3 4 1 0 0 0 0 4 13 1 6 0 0 0 3 5 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 7 10 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 14 18 2 0 0 0 0 14 15 1 0 0 0 0 15 1 1 0 0 0 0 1 2 2 0 0 0 0 12 2 1 0 0 0 0 12 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 M END > CHEBI:65037 > miltiradiene > An abietadiene in which the two doule bonds are located at positions 8 and 12. It is a key intermediate in the biosynthesis of many important natural diterpene compounds such as triptolide, tanshinones, carnosic acid and carnosol. > 3 > miltiradiene > abieta-8,12-diene > C20H32 > 272.46810 > 272.25040 > 0 > [H][C@@]12CCC3=C(CC=C(C3)C(C)C)[C@@]1(C)CCCC2(C)C > InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,14,18H,6,8-13H2,1-5H3/t18-,20+/m0/s1 > BGVUIJDZTQIJIO-AZUAARDMSA-N > 868784-51-4 > 19950804 > C20711 > C00053491 > CPD-14312 > 19905026; 22027823; 22280121; 22566191; 23812755; 24417091; 30890335; 32268192 $$$$