Garcinol (benzophenone)

CAS Registry Number®

78824-30-3
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CAS Name

Garcinol (benzophenone)

Molecular Formula

C38H50O6

Molecular Mass

602.80

Cite this Page

Garcinol (benzophenone).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78824-30-3 (retrieved 2024-05-19) (CAS RN: 78824-30-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    132 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,39-40,42H,7,13,15,18,20-21H2,1-6,8-10H3/t27-,28+,37+,38-/m0/s1

InChIKey

InChIKey=QDKLRKZQSOQWJQ-SMDXAGPFSA-N

SMILES

C([C@H](CC=C(C)C)C(C)=C)[C@]12C(=O)[C@](CC=C(C)C)(C(=O)C(C(=O)C3=CC(O)=C(O)C=C3)=C1O)C(C)(C)[C@H](CC=C(C)C)C2

Canonical SMILES

O=C(C1=CC=C(O)C(O)=C1)C=2C(=O)C3(C(=O)C(C2O)(CC(C(=C)C)CC=C(C)C)CC(CC=C(C)C)C3(C)C)CC=C(C)C

Other Names for this Substance

  • Bicyclo[3.3.1]non-3-ene-2,9-dione, 3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methyl-2-buten-1-yl)-5-[(2S)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]-, (1R,5R,7R)-
  • Bicyclo[3.3.1]non-3-ene-2,9-dione, 3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methyl-2-butenyl)-5-[5-methyl-2-(1-methylethenyl)-4-hexenyl]-, [1R-[1α,5α,5(S*),7β]]-
  • Bicyclo[3.3.1]non-3-ene-2,9-dione, 3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methyl-2-butenyl)-5-[(2S)-5-methyl-2-(1-methylethenyl)-4-hexenyl]-, (1R,5R,7R)-
  • (1R,5R,7R)-3-(3,4-Dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methyl-2-buten-1-yl)-5-[(2S)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]bicyclo[3.3.1]non-3-ene-2,9-dione
  • Garcinol

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