Marvin 04150909412D 34 37 0 0 1 0 999 V2000 -2.1733 -0.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8959 -0.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8959 -1.6509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1733 -2.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4736 -1.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7587 -2.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4736 -0.8118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7587 0.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0279 0.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6718 0.3930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6718 -0.4151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4565 -0.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9228 -0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4565 0.6494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6718 1.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4736 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6718 -1.2469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1796 1.0539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6291 -2.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7587 -0.4151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7587 -1.2405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7421 1.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0279 -0.8118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0279 0.0134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0279 -1.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8855 1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5999 1.9093 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3144 1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3144 0.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 1.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4565 1.4968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0289 1.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5999 2.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3144 3.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11 10 1 0 0 0 0 14 10 1 0 0 0 0 9 10 1 0 0 0 0 10 15 1 1 0 0 0 23 11 1 0 0 0 0 12 11 1 0 0 0 0 11 17 1 6 0 0 0 8 20 1 0 0 0 0 7 20 1 0 0 0 0 23 20 1 0 0 0 0 25 23 1 0 0 0 0 5 7 1 0 0 0 0 7 16 1 1 0 0 0 1 7 1 0 0 0 0 13 14 1 0 0 0 0 31 14 1 0 0 0 0 14 18 1 6 0 0 0 8 9 1 0 0 0 0 13 12 1 0 0 0 0 6 25 1 0 0 0 0 4 5 1 0 0 0 0 6 5 2 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 3 2 1 0 0 0 0 3 19 1 1 0 0 0 20 21 1 6 0 0 0 31 22 1 6 0 0 0 23 24 1 1 0 0 0 30 26 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 29 28 1 0 0 0 0 32 28 1 0 0 0 0 30 31 1 0 0 0 0 27 33 1 1 0 0 0 33 34 1 0 0 0 0 M END > CHEBI:27693 > sitosterol > A member of the class of phytosterols that is stigmast-5-ene substituted by a β-hydroxy group at position 3. > 3 > CHEBI:26692; CHEBI:9170 > Triastonal; sitosterol; Sitosterol; Nimbosterol; Cupreol; beta-Sitosterol; beta-Sitosterin; Azuprostat; alpha-Dihydrofucosterol; 24alpha-Ethylcholesterol; 22,23-Dihydrostigmasterol; (3beta)-Stigmast-5-en-3-ol; (24R)-Stigmast-5-en-3beta-ol; (24R)-Ethylcholest-5-en-3beta-ol; (-)-beta-Sitosterol > stigmast-5-en-3beta-ol > C29H50O > 414.70670 > 414.38617 > 0 > [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](CC)C(C)C > InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 > KZJWDPNRJALLNS-VJSFXXLFSA-N > 1916156 > 83-46-5 > 83-46-5 > C01753 > D08518 > C00023770 > LMST01040129 > 83-46-5 > 20525330; 23199991; 23215694; 23250922; 23266618; 23516045; 23624268 $$$$