Ketcher 01042212482D 1 1.00000 0.00000 0 28 31 0 1 0 999 V2000 2.1876 -0.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3693 1.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7758 0.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4973 1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2359 1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2359 2.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2359 0.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3693 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2331 0.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2032 -1.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0921 -0.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0772 -1.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6541 1.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6541 2.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5207 2.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7874 2.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 2.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0543 2.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1876 2.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 2.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1876 1.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4973 0.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3639 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3639 -1.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4973 -1.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3693 -1.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3639 0.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0543 3.9828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 8 1 0 0 0 7 5 1 0 0 0 7 1 1 0 0 0 5 21 1 0 0 0 5 2 1 0 0 0 3 1 1 0 0 0 22 4 1 0 0 0 21 3 1 0 0 0 2 4 1 0 0 0 5 6 1 0 0 0 8 22 1 0 0 0 9 11 1 0 0 0 11 12 1 0 0 0 12 10 1 0 0 0 21 19 1 0 0 0 19 18 1 0 0 0 18 17 1 0 0 0 17 16 1 0 0 0 16 14 1 0 0 0 14 13 1 0 0 0 14 15 1 0 0 0 19 20 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 22 23 1 0 0 0 26 8 1 0 0 0 23 9 1 0 0 0 10 24 1 0 0 0 23 27 1 0 0 0 18 28 1 1 0 0 M END > CHEBI:188920 > a (22S)-22-hydroxy C27-steroid > 2 > a (22S)-22-hydroxy C27-steroid > C27H48O > 388.680 > 388.37052 > 0 > C1C2C3C(CCC2(C(C1)C([C@H](CCC(C)C)O)C)C)C4(C(CC3)CCCC4)C > InChI=1S/C27H48O/c1-18(2)9-14-25(28)19(3)22-12-13-23-21-11-10-20-8-6-7-16-26(20,4)24(21)15-17-27(22,23)5/h18-25,28H,6-17H2,1-5H3/t19?,20?,21?,22?,23?,24?,25-,26?,27?/m0/s1 > OLYXNPLLTCKGPC-SZMCTDDBSA-N > C27-22-alpha-hydroxysteroid > 16460510 $$$$