Triptobenzene A

CAS Registry Number®

170557-25-2

CAS Name

Triptobenzene A

Molecular Formula

C20H28O3

Molecular Mass

316.43

Cite this Page

Triptobenzene A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=170557-25-2 (retrieved 2025-01-07) (CAS RN: 170557-25-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H28O3/c1-12(2)13-5-7-15-14(18(13)23)6-8-16-19(15,3)10-9-17(22)20(16,4)11-21/h5,7,12,16,21,23H,6,8-11H2,1-4H3/t16-,19-,20-/m1/s1

InChIKey

InChIKey=TZJRHFCKOBGRSH-NSISKUIASA-N

SMILES

C[C@@]12C=3C(CC[C@]1([C@](CO)(C)C(=O)CC2)[H])=C(O)C(C(C)C)=CC3

Canonical SMILES

O=C1CCC2(C3=CC=C(C(O)=C3CCC2C1(C)CO)C(C)C)C

Other Names for this Substance

  • 2(1H)-Phenanthrenone, 3,4,4a,9,10,10a-hexahydro-8-hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-7-(1-methylethyl)-, (1S,4aS,10aR)-
  • 2(1H)-Phenanthrenone, 3,4,4a,9,10,10a-hexahydro-8-hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-7-(1-methylethyl)-, [1S-(1α,4aα,10aβ)]-
  • (1S,4aS,10aR)-3,4,4a,9,10,10a-Hexahydro-8-hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-7-(1-methylethyl)-2(1H)-phenanthrenone
  • Triptobenzene A

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