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

CAS Registry Number®

139051-17-5

CAS Name

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

Molecular Formula

C38H58O6

Molecular Mass

610.86

Cite this Page

Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aR,4aS,7aS,7bR)-2,2a,4a,5,6,7,7a,7b-octahydro-6,6,7b-trimethyl-2a-[(1-oxohexadecyl)oxy]-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=139051-17-5 (retrieved 2024-11-22) (CAS RN: 139051-17-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H58O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(41)44-38-21-20-28-24-36(3,4)25-30(28)37(38,5)26-32(38)43-35(42)34-27(2)22-29(39)23-31(34)40/h20-23,28,30,32,39-40H,6-19,24-26H2,1-5H3/t28-,30+,32-,37-,38+/m1/s1

InChIKey

InChIKey=SFZLJVNEGHGCDQ-JMUGSSTBSA-N

SMILES

O(C(CCCCCCCCCCCCCCC)=O)[C@@]12[C@@](C)([C@@]3([C@](C=C1)(CC(C)(C)C3)[H])[H])C[C@H]2OC(=O)C4=C(C)C=C(O)C=C4O

Canonical SMILES

O=C(OC1CC2(C)C3CC(C)(C)CC3C=CC12OC(=O)CCCCCCCCCCCCCCC)C=4C(O)=CC(O)=CC4C

Other Names for this Substance

  • Benzoic acid, 2,4-dihydroxy-6-methyl-, (2R,2aR,4aS,7aS,7bR)-2,2a,4a,5,6,7,7a,7b-octahydro-6,6,7b-trimethyl-2a-[(1-oxohexadecyl)oxy]-1H-cyclobut[e]inden-2-yl ester
  • Benzoic acid, 2,4-dihydroxy-6-methyl-, 2,2a,4a,5,6,7,7a,7b-octahydro-6,6,7b-trimethyl-2a-[(1-oxohexadecyl)oxy]-1H-cyclobut[e]inden-2-yl ester, [2R-(2α,2aβ,4aα,7aα,7bβ)]-
  • 1H-Cyclobut[e]indene, benzoic acid deriv.
  • Armillatin

CAS INSIGHTSTM
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