(21β)-A′-Neo-30-norgammaceran-22-one

CAS Registry Number®

54352-47-5

CAS Name

(21β)-A′-Neo-30-norgammaceran-22-one

Molecular Formula

C29H48O

Molecular Mass

412.69

Cite this Page

(21β)-A′-Neo-30-norgammaceran-22-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54352-47-5 (retrieved 2025-08-14) (CAS RN: 54352-47-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    232-233 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H48O/c1-19(30)20-11-16-26(4)21(20)12-17-28(6)23(26)9-10-24-27(5)15-8-14-25(2,3)22(27)13-18-29(24,28)7/h20-24H,8-18H2,1-7H3/t20-,21-,22-,23+,24+,26-,27-,28+,29+/m0/s1

InChIKey

InChIKey=DCBAVUVLEYSTPU-ZTPVQENVSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)(C(C)(C)CCC3)[H])(CC[C@]4([C@@]2(C)CC[C@@]5([C@]4(C)CC[C@H]5C(C)=O)[H])[H])[H]

Canonical SMILES

O=C(C)C1CCC2(C)C1CCC3(C)C2CCC4C5(C)CCCC(C)(C)C5CCC43C

Other Names for this Substance

  • A′-Neo-30-norgammaceran-22-one, (21β)-
  • Isoadiantone
  • (21β)-A′-Neo-30-norgammaceran-22-one
  • (+)-Isoadiantone

Deleted or Replaced CAS Registry Numbers

58260-74-5

CAS INSIGHTSTM
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