7-Methoxyrosmanol

CAS Registry Number®

113085-62-4

CAS Name

7-Methoxyrosmanol

Molecular Formula

C21H28O5

Molecular Mass

360.44

Cite this Page

7-Methoxyrosmanol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=113085-62-4 (retrieved 2024-11-24) (CAS RN: 113085-62-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    169-171 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3/t16-,17+,18-,21?/m0/s1

InChIKey

InChIKey=XNPVHIQPSAZTLC-YQMJFVBQSA-N

SMILES

O=C1C23[C@@]([C@](O1)([C@@H](OC)C=4C2=C(O)C(O)=C(C(C)C)C4)[H])(C(C)(C)CCC3)[H]

Canonical SMILES

O=C1OC2C(OC)C3=CC(=C(O)C(O)=C3C14CCCC(C)(C)C24)C(C)C

Other Names for this Substance

  • 2H-10,4a-(Epoxymethano)phenanthren-12-one, 1,3,4,9,10,10a-hexahydro-5,6-dihydroxy-9-methoxy-1,1-dimethyl-7-(1-methylethyl)-, (4aR,9S,10S,10aS)-
  • 2H-10,4a-(Epoxymethano)phenanthren-12-one, 1,3,4,9,10,10a-hexahydro-5,6-dihydroxy-9-methoxy-1,1-dimethyl-7-(1-methylethyl)-, [4aR-(4aα,9β,10α,10aβ)]-
  • (4aR,9S,10S,10aS)-1,3,4,9,10,10a-Hexahydro-5,6-dihydroxy-9-methoxy-1,1-dimethyl-7-(1-methylethyl)-2H-10,4a-(epoxymethano)phenanthren-12-one
  • 7-Methoxyrosamanol
  • 7-o-Methylrosmanol

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