(4α,6α)-6-Hydroxy-15-oxokaura-9(11),16-dien-18-oic acid

CAS Registry Number®

1401419-86-0
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CAS Name

(4α,6α)-6-Hydroxy-15-oxokaura-9(11),16-dien-18-oic acid

Molecular Formula

C20H26O4

Molecular Mass

330.42

Cite this Page

(4α,6α)-6-Hydroxy-15-oxokaura-9(11),16-dien-18-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1401419-86-0 (retrieved 2024-09-17) (CAS RN: 1401419-86-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H26O4/c1-11-12-5-6-14-18(2)7-4-8-19(3,17(23)24)15(18)13(21)10-20(14,9-12)16(11)22/h6,12-13,15,21H,1,4-5,7-10H2,2-3H3,(H,23,24)/t12-,13+,15+,18+,19-,20+/m1/s1

InChIKey

InChIKey=CSODFCSZYDJPLH-SEPLDZIRSA-N

SMILES

O=C1[C@]23C([C@@]4(C)[C@]([C@@H](O)C2)([C@@](C(O)=O)(C)CCC4)[H])=CC[C@](C3)(C1=C)[H]

Canonical SMILES

O=C(O)C1(C)CCCC2(C3=CCC4C(=C)C(=O)C3(CC(O)C12)C4)C

Other Names for this Substance

  • Kaura-9(11),16-dien-18-oic acid, 6-hydroxy-15-oxo-, (4α,6α)-
  • (4α,6α)-6-Hydroxy-15-oxokaura-9(11),16-dien-18-oic acid
  • Pterisolic acid B