(3S,4R,4aR,6aS,9aR,10S,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-10-(hydroxymethyl)-4,6a,10,13a,15b-pentamethyl-1H-cyclohepta[1,2-a:5,4-a′]dinaphthalene-4-carboxylic acid

CAS Registry Number®

53755-78-5

CAS Name

(3S,4R,4aR,6aS,9aR,10S,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-10-(hydroxymethyl)-4,6a,10,13a,15b-pentamethyl-1H-cyclohepta[1,2-a:5,4-a′]dinaphthalene-4-carboxylic acid

Molecular Formula

C30H48O5

Molecular Mass

488.70

Cite this Page

(3S,4R,4aR,6aS,9aR,10S,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-10-(hydroxymethyl)-4,6a,10,13a,15b-pentamethyl-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/detail?cas_rn=53755-78-5 (retrieved 2024-11-24) (CAS RN: 53755-78-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    304-305 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H48O5/c1-26-13-10-22-28(3,15-12-24(33)30(22,5)25(34)35)20(26)9-7-19-18(16-26)6-8-21-27(19,2)14-11-23(32)29(21,4)17-31/h6,19-24,31-33H,7-17H2,1-5H3,(H,34,35)/t19-,20-,21+,22+,23+,24-,26-,27+,28+,29+,30+/m0/s1

InChIKey

InChIKey=ISFIVPSZFJMIOJ-LTVWIFDFSA-N

SMILES

C[C@@]12[C@]([C@](C(O)=O)(C)[C@@H](O)CC1)(CC[C@]3(C)[C@@]2(CC[C@]4(C(C3)=CC[C@@]5([C@]4(C)CC[C@@H](O)[C@@]5(CO)C)[H])[H])[H])[H]

Canonical SMILES

O=C(O)C1(C)C(O)CCC2(C)C1CCC3(C)CC4=CCC5C(C)(CO)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-10-(hydroxymethyl)-4,6a,10,13a,15b-pentamethyl-, (3S,4R,4aR,6aS,9aR,10S,11R,13aR,13bS,15aS,15bR)-
  • C(14a)-Homo-27-norgammacer-14-en-23-oic acid, 3,21,29-trihydroxy-, (3β,4β,21β,22α)-
  • (3S,4R,4aR,6aS,9aR,10S,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-10-(hydroxymethyl)-4,6a,10,13a,15b-pentamethyl-1H-cyclohepta[1,2-a:5,4-a′]dinaphthalene-4-carboxylic acid
  • 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-10-(hydroxymethyl)-4,6a,10,13a,15b-pentamethyl-, [3S-(3α,4α,4aβ,6aα,9aα,10β,11α,13aβ,13bα,15aβ,15bα)]-
  • Lycernuic acid B

CAS INSIGHTSTM
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