GHS
GHS Classification Search
9,19-Cyclolanostan-28-oic acid, 1,3,16,24-tetrahydroxy-24-(hydroxymethyl)-, (1I+/-,3I(2),4I+/-,16I+/-)-
CAS Number: 239794-30-0
IUPAC name: (1S,3S,4S,6S,7S,8R,11S,12S,14R,15R,16R)-4,6,14-trihydroxy-15-[(2R)-5-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid
Molecular formula: C31H52O7
Molecular weight: 536.7
InChI: InChI=1S/C31H52O7/c1-17(2)30(38,16-32)10-9-18(3)24-19(33)14-27(5)20-7-8-21-28(6,25(36)37)22(34)13-23(35)31(21)15-29(20,31)12-11-26(24,27)4/h17-24,32-35,38H,7-16H2,1-6H3,(H,36,37)/t18-,19-,20+,21+,22+,23+,24+,26-,27+,28+,29+,30?,31-/m1/s1
InChIKey: CPHVNLRAJPTYSD-XHBUWONYSA-N
SMILES: C[C@H](CCC(CO)(C(C)C)O)[C@H]1[C@@H](C[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)[C@H](C[C@@H]([C@@]5(C)C(=O)O)O)O)C)C)O
EINECS: -
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