ACD/Labs12202311023D 30 33 0 0 1 0 0 0 0 0 1 V2000 15.4970 -12.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4970 -14.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3451 -12.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3451 -14.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1933 -12.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1933 -14.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0415 -14.7606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4970 -11.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6488 -12.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8005 -12.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6487 -14.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8005 -14.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6489 -10.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8008 -10.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9523 -12.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9525 -10.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2171 -12.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9989 -11.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2174 -10.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9525 -9.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2174 -9.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3693 -8.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5211 -9.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0656 -8.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6729 -8.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8247 -9.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9765 -8.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4824 -9.9493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.8247 -10.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6488 -13.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 1 0 0 0 1 8 1 1 0 0 0 1 9 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 10 12 2 0 0 0 0 11 12 1 0 0 0 0 9 13 1 0 0 0 0 9 10 1 0 0 0 0 13 14 1 0 0 0 0 10 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 16 19 1 0 0 0 0 18 19 1 0 0 0 0 16 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 21 19 1 0 0 0 0 21 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 19 28 1 6 0 0 0 26 29 1 0 0 0 0 9 30 1 6 0 0 0 M END > CHEBI:228293 > astropectenol D > 3 > (14xi)-cholest-7-ene-3beta,9-diol > C27H46O2 > 402.663 > 402.34978 > 0 > [H]C1(CCC2C3=CCC4CC(O)CCC4(C)C3(O)CCC12C)C(C)CCCC(C)C > InChI=1S/C27H46O2/c1-18(2)7-6-8-19(3)22-11-12-23-24-10-9-20-17-21(28)13-14-26(20,5)27(24,29)16-15-25(22,23)4/h10,18-23,28-29H,6-9,11-17H2,1-5H3/t19-,20?,21+,22-,23?,25-,26+,27-/m1/s1 > JJJSDRCOEVDSMV-ASDXCJLOSA-N > 24088696 $$$$