(4aR,10aS)-1,3,4,9,10,10a-Hexahydro-6-hydroxy-5-methoxy-1,1-dimethyl-7-(1-methylethyl)-4a(2H)-phenanthrenecarboxylic acid

CAS Registry Number®

313050-47-4

CAS Name

(4aR,10aS)-1,3,4,9,10,10a-Hexahydro-6-hydroxy-5-methoxy-1,1-dimethyl-7-(1-methylethyl)-4a(2H)-phenanthrenecarboxylic acid

Molecular Formula

C21H30O4

Molecular Mass

346.46

Cite this Page

(4aR,10aS)-1,3,4,9,10,10a-Hexahydro-6-hydroxy-5-methoxy-1,1-dimethyl-7-(1-methylethyl)-4a(2H)-phenanthrenecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=313050-47-4 (retrieved 2024-11-22) (CAS RN: 313050-47-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H30O4/c1-12(2)14-11-13-7-8-15-20(3,4)9-6-10-21(15,19(23)24)16(13)18(25-5)17(14)22/h11-12,15,22H,6-10H2,1-5H3,(H,23,24)/t15-,21+/m0/s1

InChIKey

InChIKey=YGSBCRBVGUZWBC-YCRPNKLZSA-N

SMILES

C(O)(=O)[C@@]12C=3C(=CC(C(C)C)=C(O)C3OC)CC[C@]1(C(C)(C)CCC2)[H]

Canonical SMILES

O=C(O)C12C=3C(OC)=C(O)C(=CC3CCC1C(C)(C)CCC2)C(C)C

Other Names for this Substance

  • 4a(2H)-Phenanthrenecarboxylic acid, 1,3,4,9,10,10a-hexahydro-6-hydroxy-5-methoxy-1,1-dimethyl-7-(1-methylethyl)-, (4aR,10aS)-
  • (4aR,10aS)-1,3,4,9,10,10a-Hexahydro-6-hydroxy-5-methoxy-1,1-dimethyl-7-(1-methylethyl)-4a(2H)-phenanthrenecarboxylic acid
  • Carnosic acid 11-methyl ether

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