Torularhodin

CAS Registry Number®

514-92-1

CAS Name

Torularhodin

Molecular Formula

C40H52O2

Molecular Mass

564.84

Cite this Page

Torularhodin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=514-92-1 (retrieved 2024-11-25) (CAS RN: 514-92-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    211 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C40H52O2/c1-31(19-12-21-33(3)22-13-23-34(4)25-15-26-37(7)39(41)42)17-10-11-18-32(2)20-14-24-35(5)28-29-38-36(6)27-16-30-40(38,8)9/h10-15,17-26,28-29H,16,27,30H2,1-9H3,(H,41,42)/b11-10+,19-12+,20-14+,22-13+,25-15+,29-28+,31-17+,32-18+,33-21+,34-23+,35-24+,37-26+

InChIKey

InChIKey=NESPPCWGYRQEJQ-VATUXEBJSA-N

SMILES

C(=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C=C(/C(O)=O)\C)\C)\C)\C)/C)/C)\C=1C(C)(C)CCCC1C

Canonical SMILES

O=C(O)C(=CC=CC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C)C)C)C)C

Other Names for this Substance

  • β,ψ-Caroten-16′-oic acid, 3′,4′-didehydro-
  • γ-Caroten-16′-oic acid, 3′,4′-didehydro-, all-trans-
  • γ-Caroten-16′-oic acid, 3′,4′-didehydro-
  • 3′,4′-Didehydro-β,ψ-caroten-16′-oic acid
  • Torularhodin, all-trans-

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Deleted or Replaced CAS Registry Numbers

17334-35-9

CAS INSIGHTSTM
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