| 2D Structure | |
| CID | 72326 |
| Target | CDC42 , RAC1 , RHOA , TOP2A |
| IUPAC Name | (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol |
| InChI | InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1 |
| InChI Key | FVWJYYTZTCVBKE-ROUWMTJPSA-N |
| Canonical SMILES | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO |
| Isomeric SMILES | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)CO |
| Molecular Formula | C30H50O2 |
| Molecular Weight | 442.7 |
| synonyms | ['Betulin', '473-98-3', 'Betulinol', 'Betuline', 'Trochol', 'Betulol', 'Betulinic alcohol', '(+)-betulin', 'Lup-20(30)-ene-3beta,28-diol', 'NSC 4644', 'NSC-4644', 'EINECS 207-475-5', 'lup-20(29)-ene-3 beta,28-diol', '6W70HN7X7O', 'CHEBI:3086', 'ORISTRACT BTL', 'CP BETULIN', 'AI3-62999', 'Lup-20(29)-ene-3,28-diol, (3beta)-', 'BETULIN [MI]', '(3beta)-lup-20(29)-ene-3,28-diol', '(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol', 'DTXSID101019934', 'Lup-20(29)-ene-3,28-diol, (3.beta.)-', 'Lup-20(30)-ene-3.beta.,28-diol', '(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta(a)chrysen-9-ol', 'BETULIN [INCI]', 'DTXCID801477793', '207-475-5', 'Lup-20(29)-ene-3beta,28-diol', 'Lup-20(29)-ene-3b,28-diol', 'MFCD00016802', '(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(Hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol', '(1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-5-(hydroxymethyl)-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosan-17-ol', '(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol', 'SR-05000002167', 'NSC4644', 'UNII-6W70HN7X7O', 'NSC692218', 'Lup-20(29)-ene-3.beta.,28-diol', 'Betulin (Standard)', 'Betulinol (obsol.)', 'Betulin, 23', 'Betulin, >=98%', 'Prestwick3_000990', 'Betulin, analytical standard', 'BSPBio_001059', 'CHEMBL23236', 'SCHEMBL131739', 'BPBio1_001165', 'MEGxp0_001726', 'ACon1_000091', 'BDBM23207', 'HY-N0083R', 'HMS2098E21', '7372-31-8', 'EX-A3354', 'HY-N0083', 's4754', 'Lup-20(29)-ene-3 ,28-diol', 'AKOS005267212', 'Lup-20(29)-ene-3beta ,28-diol', 'Lup-20(30)-ene-3beta ,28-diol', 'CCG-208619', 'CS-6156', 'FB29605', 'GS-3254', 'LMPR0106140005', 'NSC-692218', 'NCGC00168803-01', 'NCGC00168803-02', 'NCGC00168803-04', 'AB00513988', 'B0803', 'NS00018049', '(3.beta.)-Lup-20(29)-ene-3,28-diol', 'C08618', 'Lup-20(29)-ene-3,28-diol, (3beta )-', 'Q419726', 'SR-05000002167-2', 'SR-05000002167-3', 'BRD-K64874225-001-01-3', 'BRD-K64874225-001-04-7', '(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3 a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol', 'Lup-20(29)-ene-3b,28-diol;(1R,3AS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(Hydroxymethyl)-5a,5b,8,8,1 1a-pentamethyl-1-(prop-1-en-2-y l)icosahydro-1H-cyclopenta[a]chrysen-9-ol'] |
From Pubchem