Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, (2R,2aS,4aS,6R,7aS,7bR)-2,2a,4a,5,6,7,7a,7b-octahydro-2a-hydroxy-3,6-bis(hydroxymethyl)-6,7b-dimethyl-1H-cyclobut[e]inden-2-yl ester

CAS Registry Number®

117258-75-0

CAS Name

Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, (2R,2aS,4aS,6R,7aS,7bR)-2,2a,4a,5,6,7,7a,7b-octahydro-2a-hydroxy-3,6-bis(hydroxymethyl)-6,7b-dimethyl-1H-cyclobut[e]inden-2-yl ester

Molecular Formula

C24H32O7

Molecular Mass

432.51

Cite this Page

Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, (2R,2aS,4aS,6R,7aS,7bR)-2,2a,4a,5,6,7,7a,7b-octahydro-2a-hydroxy-3,6-bis(hydroxymethyl)-6,7b-dimethyl-1H-cyclobut[e]inden-2-yl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=117258-75-0 (retrieved 2024-11-25) (CAS RN: 117258-75-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H32O7/c1-13-5-16(30-4)7-18(27)20(13)21(28)31-19-10-23(3)17-9-22(2,12-26)8-14(17)6-15(11-25)24(19,23)29/h5-7,14,17,19,25-27,29H,8-12H2,1-4H3/t14-,17+,19-,22-,23-,24+/m1/s1

InChIKey

InChIKey=GGQLLLSSCCXUBL-XDJDACAPSA-N

SMILES

O[C@@]12[C@@](C)([C@@]3([C@](C=C1CO)(C[C@](CO)(C)C3)[H])[H])C[C@H]2OC(=O)C4=C(C)C=C(OC)C=C4O

Canonical SMILES

O=C(OC1CC2(C)C3CC(C)(CO)CC3C=C(CO)C12O)C4=C(O)C=C(OC)C=C4C

Other Names for this Substance

  • Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, (2R,2aS,4aS,6R,7aS,7bR)-2,2a,4a,5,6,7,7a,7b-octahydro-2a-hydroxy-3,6-bis(hydroxymethyl)-6,7b-dimethyl-1H-cyclobut[e]inden-2-yl ester
  • Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, 2,2a,4a,5,6,7,7a,7b-octahydro-2a-hydroxy-3,6-bis(hydroxymethyl)-6,7b-dimethyl-1H-cyclobut[e]inden-2-yl ester, [2R-(2α,2aβ,4aα,6α,7aα,7bβ)]-
  • 1H-Cyclobut[e]indene, benzoic acid deriv.
  • Melleolide G

CAS INSIGHTSTM
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