18-Norpregn-20-ene-4-propanoic acid, 4,9,14,20-tetramethyl-3-(1-methylethenyl)-, (3α,4β,5β,8α,9β,10α,13α,14β)-

CAS Registry Number®

52809-09-3

CAS Name

18-Norpregn-20-ene-4-propanoic acid, 4,9,14,20-tetramethyl-3-(1-methylethenyl)-, (3α,4β,5β,8α,9β,10α,13α,14β)-

Molecular Formula

C30H48O2

Molecular Mass

440.70

Cite this Page

18-Norpregn-20-ene-4-propanoic acid, 4,9,14,20-tetramethyl-3-(1-methylethenyl)-, (3α,4β,5β,8α,9β,10α,13α,14β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52809-09-3 (retrieved 2024-11-12) (CAS RN: 52809-09-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    178-180 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H48O2/c1-19(2)21-11-15-28(6)23(21)13-18-30(8)25(28)10-9-24-27(5,16-14-26(31)32)22(20(3)4)12-17-29(24,30)7/h21-25H,1,3,9-18H2,2,4-8H3,(H,31,32)/t21-,22+,23+,24-,25-,27+,28+,29-,30-/m1/s1

InChIKey

InChIKey=STWHPCOPDBFRNW-PYQRSULMSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)([C@@H](C(C)=C)CC3)[H])(CC[C@]4([C@@]2(C)CC[C@@H](C(C)=C)[C@@]4(CCC(O)=O)C)[H])[H]

Canonical SMILES

O=C(O)CCC1(C)C(C(=C)C)CCC2(C)C1CCC3C4(C)CCC(C(=C)C)C4CCC32C

Other Names for this Substance

  • 18-Norpregn-20-ene-4-propanoic acid, 4,9,14,20-tetramethyl-3-(1-methylethenyl)-, (3α,4β,5β,8α,9β,10α,13α,14β)-
  • A′-Neo-3,4-secogammacera-4(23),22(29)-dien-3-oic acid, (21β)-
  • Sebiferic acid

CAS INSIGHTSTM
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