Tetradecanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-3-formyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester

CAS Registry Number®

30358-69-1

CAS Name

Tetradecanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-3-formyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester

Molecular Formula

C36H54O8

Molecular Mass

614.81

Cite this Page

Tetradecanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-3-formyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=30358-69-1 (retrieved 2024-11-08) (CAS RN: 30358-69-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H54O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,22,24,27-28,30,32,41-42H,7-18,21H2,1-6H3/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1

InChIKey

InChIKey=AHLWZBVXSWOPPL-RGYGYFBISA-N

SMILES

O(C(C)=O)[C@@]12[C@@](C1(C)C)([C@]3([C@](O)([C@H](C)[C@H]2OC(CCCCCCCCCCCCC)=O)[C@]4([C@](O)(CC(C=O)=C3)C(=O)C(C)=C4)[H])[H])[H]

Canonical SMILES

O=CC1=CC2C3C(OC(=O)C)(C(OC(=O)CCCCCCCCCCCCC)C(C)C2(O)C4C=C(C(=O)C4(O)C1)C)C3(C)C

Other Names for this Substance

  • Tetradecanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-3-formyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester
  • Myristic acid, 9-ester with 1aα,1bβ,4,4a,5,7aα,7b,8,9,9a-decahydro-4aβ,7bα,9β,9aα-tetrahydroxy-1,1,6,8α-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulene-3-carboxaldehyde 9a-acetate
  • Tetradecanoic acid, 9a-(acetyloxy)-3-formyl-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, [1aR-(1aα,1bβ,4aβ,7aα,7bα,8α,9β,9aα)]-
  • 1H-Cyclopropa[3,4]benz[1,2-e]azulene, tetradecanoic acid deriv.
  • 12-O-Tetradecanoyl-20-deoxy-20-oxophorbol 13-acetate

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Deleted or Replaced CAS Registry Numbers

67481-34-9, 73353-69-2

CAS INSIGHTSTM
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