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

CAS Registry Number®

101901-55-7
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CAS Name

Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, (2R,2aS,4aS,7R,7aS,7bR)-2,2a,4a,5,6,7,7a,7b-octahydro-2a,7-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-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,7R,7aS,7bR)-2,2a,4a,5,6,7,7a,7b-octahydro-2a,7-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-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=101901-55-7 (retrieved 2024-09-19) (CAS RN: 101901-55-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H32O7/c1-12-6-15(30-5)8-16(26)18(12)21(28)31-17-10-23(4)19-13(9-22(2,3)20(19)27)7-14(11-25)24(17,23)29/h6-8,13,17,19-20,25-27,29H,9-11H2,1-5H3/t13-,17-,19-,20-,23-,24+/m1/s1

InChIKey

InChIKey=NHDJKXOHRUHQHG-OCQSXXIKSA-N

SMILES

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

Canonical SMILES

O=C(OC1CC2(C)C3C(O)C(C)(C)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,7R,7aS,7bR)-2,2a,4a,5,6,7,7a,7b-octahydro-2a,7-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-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,7-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester, [2R-(2α,2aβ,4aα,7β,7aα,7bβ)]-
  • 1H-Cyclobut[e]indene, benzoic acid deriv.
  • Melleolide B