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

CAS Registry Number®

117458-36-3

CAS Name

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

Molecular Formula

C23H27ClO8

Molecular Mass

466.91

Cite this Page

Benzoic acid, 3-chloro-4,6-dihydroxy-2-methyl-, (2R,2aS,4aR,7R,7aS,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-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=117458-36-3 (retrieved 2024-11-12) (CAS RN: 117458-36-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H27ClO8/c1-10-15(12(26)5-13(27)16(10)24)19(29)32-14-7-21(4)17-18(28)20(2,3)9-22(17,30)6-11(8-25)23(14,21)31/h5-6,8,14,17-18,26-28,30-31H,7,9H2,1-4H3/t14-,17-,18-,21-,22+,23+/m1/s1

InChIKey

InChIKey=HAJBXIZSTZMKOC-VBBGSEJHSA-N

SMILES

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

Canonical SMILES

O=CC1=CC2(O)CC(C)(C)C(O)C2C3(C)CC(OC(=O)C=4C(O)=CC(O)=C(Cl)C4C)C13O

Other Names for this Substance

  • Benzoic acid, 3-chloro-4,6-dihydroxy-2-methyl-, (2R,2aS,4aR,7R,7aS,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester
  • Benzoic acid, 3-chloro-4,6-dihydroxy-2-methyl-, 3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a,7-trihydroxy-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.
  • Melledonal B
  • CH 205-Q

CAS INSIGHTSTM
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