ent-17-Oxokaur-15(16)-en-19-oic acid
CAS Registry Number®
77887-58-2
CAS Name
ent-17-Oxokaur-15(16)-en-19-oic acidMolecular Formula
C20H28O3Molecular Mass
316.43Cite this Page
ent-17-Oxokaur-15(16)-en-19-oic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=77887-58-2 (retrieved ) (CAS RN: 77887-58-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C20H28O3/c1-18-7-3-8-19(2,17(22)23)15(18)6-9-20-10-13(4-5-16(18)20)14(11-20)12-21/h11-13,15-16H,3-10H2,1-2H3,(H,22,23)/t13-,15+,16+,18-,19-,20+/m1/s1
InChIKey
InChIKey=DIURMAFIAYOVGU-PMHNSBFUSA-N
SMILES
C[C@]12[C@]3([C@]4(C[C@@](CC3)(C(C=O)=C4)[H])CC[C@@]1([C@@](C(O)=O)(C)CCC2)[H])[H]
Canonical SMILES
O=CC1=CC23CCC4C(C(=O)O)(C)CCCC4(C)C3CCC1C2
Other Names for this Substance
- Kaur-15-en-18-oic acid, 17-oxo-, (4α)-
- (4α)-17-Oxokaur-15-en-18-oic acid
- ent-17-Oxokaur-15(16)-en-19-oic acid
- Ent-kaur-15-en-17-al-18-oic acid