Andirobin

CAS Registry Number®

6488-63-7
No image available.

CAS Name

Andirobin

Molecular Formula

C27H32O7

Molecular Mass

468.54

Cite this Page

Andirobin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6488-63-7 (retrieved 2024-09-21) (CAS RN: 6488-63-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    195-197 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H32O7/c1-15-17(25(4)10-8-19(28)24(2,3)18(25)13-20(29)31-6)7-11-26(5)21(16-9-12-32-14-16)33-23(30)22-27(15,26)34-22/h8-10,12,14,17-18,21-22H,1,7,11,13H2,2-6H3/t17-,18-,21-,22+,25+,26-,27+/m0/s1

InChIKey

InChIKey=BFUCTROUWLSVBH-AZEZYXMUSA-N

SMILES

C[C@@]12[C@]3([C@](O3)(C(=O)O[C@H]1C=4C=COC4)[H])C(=C)[C@](CC2)([C@]5(C)[C@@H](CC(OC)=O)C(C)(C)C(=O)C=C5)[H]

Canonical SMILES

O=C(OC)CC1C(C=CC(=O)C1(C)C)(C)C2C(=C)C34OC4C(=O)OC(C5=COC=C5)C3(C)CC2

Other Names for this Substance

  • 3-Cyclohexene-1-acetic acid, 2-[(1aS,4S,4aS,7R,8aS)-4-(3-furanyl)octahydro-4a-methyl-8-methylene-2-oxooxireno[d][2]benzopyran-7-yl]-2,6,6-trimethyl-5-oxo-, methyl ester, (1R,2R)-
  • Andirobin
  • 3-Cyclohexene-1-acetic acid, 2-[4β-(3-furyl)-1aβ,2,4,4a,5,6,7β,8-octahydro-4aβ-methyl-8-methylene-2-oxooxireno[d][2]benzopyran-7-yl]-2,6,6-trimethyl-5-oxo-, methyl ester
  • 3-Cyclohexene-1-acetic acid, 2-[4-(3-furanyl)octahydro-4a-methyl-8-methylene-2-oxooxireno[d][2]benzopyran-7-yl]-2,6,6-trimethyl-5-oxo-, methyl ester, [1aS-[1aα,4α,4aα,7β(1S*,2S*),8aR*]]-
  • NSC 104301

Deleted or Replaced CAS Registry Numbers

1373-91-7