Marvin 02181317092D 35 38 0 0 0 0 999 V2000 24.0926 -5.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8750 -7.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8750 -8.4792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5870 -8.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5870 -7.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2990 -7.6542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2955 -8.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0043 -8.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7211 -8.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0113 -7.2424 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7247 -7.6651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7417 -6.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0167 -6.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4550 -6.4324 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4416 -7.2589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2235 -7.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7203 -6.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2459 -6.1882 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1611 -8.8927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2917 -6.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4500 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2394 -5.3632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9506 -4.9451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5217 -4.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6683 -5.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3795 -4.9339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.8084 -4.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3730 -4.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4333 -8.0833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7167 -6.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0042 -8.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0667 -6.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0968 -6.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9441 -4.1201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0842 -3.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 14 1 0 0 0 0 8 9 2 0 0 0 0 3 19 1 1 0 0 0 9 11 1 0 0 0 0 6 20 1 1 0 0 0 10 11 1 0 0 0 0 14 21 1 1 0 0 0 4 7 2 0 0 0 0 18 22 1 0 0 0 0 6 5 1 0 0 0 0 22 23 1 0 0 0 0 6 7 1 0 0 0 0 22 24 1 6 0 0 0 23 25 1 0 0 0 0 10 13 1 0 0 0 0 25 26 1 0 0 0 0 26 1 1 0 0 0 0 11 15 1 0 0 0 0 1 27 1 0 0 0 0 14 12 1 0 0 0 0 26 28 1 1 0 0 0 12 13 1 0 0 0 0 15 29 1 6 0 0 0 14 15 1 0 0 0 0 11 30 1 1 0 0 0 2 3 1 0 0 0 0 10 31 1 6 0 0 0 2 5 1 0 0 0 0 18 32 1 6 0 0 0 3 4 1 0 0 0 0 1 33 1 0 0 0 0 6 10 1 0 0 0 0 23 34 1 6 0 0 0 7 8 1 0 0 0 0 28 35 1 0 0 0 0 M END > CHEBI:65999 > halosterol B > A 3β-hydroxy steroid that is (3β)-stigmasta-4,6-diene-3-ol with an additional hydroxy group at position 22 (the 22R stereoisomer). Isolated from the whole plants of Haloxylon recurvum, it exhibits chymotrypsin inhibitory activity. > 3 > (22R,24R)-24-ethyl-cholest-4,6-diene-3beta,22-diol > (3beta,22R)-stigmasta-4,6-diene-3,22-diol > C29H48O2 > 428.69020 > 428.36543 > 0 > [H][C@@]1(CC[C@@]2([H])[C@]3([H])C=CC4=C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@H](O)C[C@@H](CC)C(C)C > InChI=1S/C29H48O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h8-9,17-20,22-27,30-31H,7,10-16H2,1-6H3/t19-,20+,22-,23-,24+,25-,26-,27+,28-,29+/m0/s1 > CEUDUKDULPDRSW-JDVKSECFSA-N > 10396293 > 16651755 $$$$