Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, 3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-6-(hydroxymethyl)-6,7b-dimethyl-1H-cyclobut[e]inden-2-yl ester, (2α,2aβ,4aα,6α,7β,7aα,7bβ)-(+)-

CAS Registry Number®

112471-06-4

CAS Name

Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, 3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-6-(hydroxymethyl)-6,7b-dimethyl-1H-cyclobut[e]inden-2-yl ester, (2α,2aβ,4aα,6α,7β,7aα,7bβ)-(+)-

Molecular Formula

C24H30O9

Molecular Mass

462.49

Cite this Page

Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, 3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-6-(hydroxymethyl)-6,7b-dimethyl-1H-cyclobut[e]inden-2-yl ester, (2α,2aβ,4aα,6α,7β,7aα,7bβ)-(+)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=112471-06-4 (retrieved 2025-03-14) (CAS RN: 112471-06-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C24H30O9/c1-12-5-14(32-4)6-15(27)17(12)20(29)33-16-8-22(3)18-19(28)21(2,11-26)10-23(18,30)7-13(9-25)24(16,22)31/h5-7,9,16,18-19,26-28,30-31H,8,10-11H2,1-4H3/t16-,18-,19-,21+,22-,23+,24+/s2

InChIKey

InChIKey=GEZFFZYSQRTAPC-ICJGWLNBNA-N

SMILES

O[C@]12[C@](C)([C@]3([C@@](O)(C=C1C=O)C[C@@](CO)(C)[C@H]3O)[H])C[C@@H]2OC(=O)C4=C(C)C=C(OC)C=C4O

Canonical SMILES

O=CC1=CC2(O)CC(C)(CO)C(O)C2C3(C)CC(OC(=O)C4=C(O)C=C(OC)C=C4C)C13O

Other Names for this Substance

  • Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, 3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-6-(hydroxymethyl)-6,7b-dimethyl-1H-cyclobut[e]inden-2-yl ester, (2α,2aβ,4aα,6α,7β,7aα,7bβ)-(+)-
  • 1H-Cyclobut[e]indene, benzoic acid deriv.

CAS INSIGHTSTM
Illustration of nanoparticles containing mRNA (messenger ribonucleic acid), which could become an effective vaccine strategy for cancers.