Isorosmanol

CAS Registry Number®

93780-80-4
No image available.

CAS Name

Isorosmanol

Molecular Formula

C20H26O5

Molecular Mass

346.42

Cite this Page

Isorosmanol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=93780-80-4 (retrieved 2024-09-07) (CAS RN: 93780-80-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H26O5/c1-9(2)10-8-11-12(14(22)13(10)21)20-7-5-6-19(3,4)17(20)15(23)16(11)25-18(20)24/h8-9,15-17,21-23H,5-7H2,1-4H3/t15-,16+,17-,20-/m0/s1

InChIKey

InChIKey=UXVPWKDITRJELA-CLWJZODNSA-N

SMILES

O=C1[C@@]23C=4C([C@]([C@H](O)[C@]2(C(C)(C)CCC3)[H])(O1)[H])=CC(C(C)C)=C(O)C4O

Canonical SMILES

O=C1OC2C3=CC(=C(O)C(O)=C3C14CCCC(C)(C)C4C2O)C(C)C

Other Names for this Substance

  • 2H-9,4a-(Epoxymethano)phenanthren-12-one, 1,3,4,9,10,10a-hexahydro-5,6,10-trihydroxy-1,1-dimethyl-7-(1-methylethyl)-, (4aR,9R,10R,10aS)-
  • 2H-9,4a-(Epoxymethano)phenanthren-12-one, 1,3,4,9,10,10a-hexahydro-5,6,10-trihydroxy-1,1-dimethyl-7-(1-methylethyl)-, [4aR-(4aα,9α,10β,10aβ)]-
  • (4aR,9R,10R,10aS)-1,3,4,9,10,10a-Hexahydro-5,6,10-trihydroxy-1,1-dimethyl-7-(1-methylethyl)-2H-9,4a-(epoxymethano)phenanthren-12-one
  • Isorosmanol