(3S,4R,4aR,6aS,9aR,11R,13aR,13bS,15aS,15bR)-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-Eicosahydro-3,11-dihydroxy-4,6a,10,10,13a,15b-hexamethyl-1H-cyclohepta[1,2-a:5,4-a′]dinaphthalene-4-carboxylic acid

CAS Registry Number®

53755-77-4
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CAS Name

(3S,4R,4aR,6aS,9aR,11R,13aR,13bS,15aS,15bR)-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-Eicosahydro-3,11-dihydroxy-4,6a,10,10,13a,15b-hexamethyl-1H-cyclohepta[1,2-a:5,4-a′]dinaphthalene-4-carboxylic acid

Molecular Formula

C30H48O4

Molecular Mass

472.70

Cite this Page

(3S,4R,4aR,6aS,9aR,11R,13aR,13bS,15aS,15bR)-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-Eicosahydro-3,11-dihydroxy-4,6a,10,10,13a,15b-hexamethyl-1H-cyclohepta[1,2-a:5,4-a′]dinaphthalene-4-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=53755-77-4 (retrieved 2024-05-01) (CAS RN: 53755-77-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    322-324 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H48O4/c1-26(2)20-9-7-18-17-27(3)14-11-22-29(5,16-13-24(32)30(22,6)25(33)34)21(27)10-8-19(18)28(20,4)15-12-23(26)31/h7,19-24,31-32H,8-17H2,1-6H3,(H,33,34)/t19-,20-,21-,22+,23+,24-,27-,28+,29+,30+/m0/s1

InChIKey

InChIKey=RGIWJHUJDHZDIN-PMVHANJISA-N

SMILES

C[C@@]12[C@@]3([C@](C)(CC=4[C@](CC3)([C@]5(C)[C@@](CC4)(C(C)(C)[C@H](O)CC5)[H])[H])CC[C@]1([C@](C(O)=O)(C)[C@@H](O)CC2)[H])[H]

Canonical SMILES

O=C(O)C1(C)C(O)CCC2(C)C1CCC3(C)CC4=CCC5C(C)(C)C(O)CCC5(C)C4CCC32

Other Names for this Substance

  • 1H-Cyclohepta[1,2-a:5,4-a′]dinaphthalene-4-carboxylic acid, 2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-3,11-dihydroxy-4,6a,10,10,13a,15b-hexamethyl-, (3S,4R,4aR,6aS,9aR,11R,13aR,13bS,15aS,15bR)-
  • C(14a)-Homo-27-norgammacer-14-en-23-oic acid, 3,21-dihydroxy-, (3β,4β,21β)-
  • (3S,4R,4aR,6aS,9aR,11R,13aR,13bS,15aS,15bR)-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-Eicosahydro-3,11-dihydroxy-4,6a,10,10,13a,15b-hexamethyl-1H-cyclohepta[1,2-a:5,4-a′]dinaphthalene-4-carboxylic acid
  • Lycernuic acid A
  • 1H-Cyclohepta[1,2-a:5,4-a′]dinaphthalene-4-carboxylic acid, 2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-3,11-dihydroxy-4,6a,10,10,13a,15b-hexamethyl-, [3S-(3α,4α,4aβ,6aα,9aα,11α,13aβ,13bα,15aβ,15bα)]-

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Deleted or Replaced CAS Registry Numbers

147237-21-6, 1651208-38-6

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