Isogarcinol

CAS Registry Number®

71117-97-0

CAS Name

Isogarcinol

Molecular Formula

C38H50O6

Molecular Mass

602.80

Cite this Page

Isogarcinol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71117-97-0 (retrieved 2024-12-02) (CAS RN: 71117-97-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    251 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C38H50O6/c1-22(2)11-14-26-20-37-21-27(15-12-23(3)4)36(9,10)44-33(37)30(31(41)25-13-16-28(39)29(40)19-25)32(42)38(34(37)43,35(26,7)8)18-17-24(5)6/h11-13,16-17,19,26-27,39-40H,14-15,18,20-21H2,1-10H3/t26-,27+,37+,38+/m1/s1

InChIKey

InChIKey=KXTNVBQRLRYVCO-LPSZMIQCSA-N

SMILES

O=C1[C@@]23C(=C(C(=O)C4=CC(O)=C(O)C=C4)C(=O)[C@]1(CC=C(C)C)C(C)(C)[C@H](CC=C(C)C)C2)OC(C)(C)[C@@H](CC=C(C)C)C3

Canonical SMILES

O=C(C1=CC=C(O)C(O)=C1)C=2C(=O)C3(C(=O)C4(C2OC(C)(C)C(CC=C(C)C)C4)CC(CC=C(C)C)C3(C)C)CC=C(C)C

Other Names for this Substance

  • 9H-4a,8-Methano-2H-cycloocta[b]pyran-9,11-dione, 10-(3,4-dihydroxybenzoyl)-3,4,5,6,7,8-hexahydro-2,2,7,7-tetramethyl-3,6,8-tris(3-methyl-2-buten-1-yl)-, (3S,4aS,6R,8R)-
  • 9H-4a,8-Methano-2H-cycloocta[b]pyran-9,11-dione, 10-(3,4-dihydroxybenzoyl)-3,4,5,6,7,8-hexahydro-2,2,7,7-tetramethyl-3,6,8-tris(3-methyl-2-butenyl)-, [3S-(3α,4aβ,6α,8β)]-
  • 9H-4a,8-Methano-2H-cycloocta[b]pyran-9,11-dione, 10-(3,4-dihydroxybenzoyl)-3,4,5,6,7,8-hexahydro-2,2,7,7-tetramethyl-3,6,8-tris(3-methyl-2-butenyl)-, (3S,4aS,6R,8R)-
  • (3S,4aS,6R,8R)-10-(3,4-Dihydroxybenzoyl)-3,4,5,6,7,8-hexahydro-2,2,7,7-tetramethyl-3,6,8-tris(3-methyl-2-buten-1-yl)-9H-4a,8-methano-2H-cycloocta[b]pyran-9,11-dione
  • Cambogin

View All

Deleted or Replaced CAS Registry Numbers

78808-83-0

CAS INSIGHTSTM
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