Chryseno[1,2-c]furan-1,13-diol, 1,3,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydro-5b,8,8,11a,13a-pentamethyl-, 13-acetate, (1R,5aS,5bR,7aS,11aS,11bR,13R,13aS,13bS)-

CAS Registry Number®

64825-80-5

CAS Name

Chryseno[1,2-c]furan-1,13-diol, 1,3,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydro-5b,8,8,11a,13a-pentamethyl-, 13-acetate, (1R,5aS,5bR,7aS,11aS,11bR,13R,13aS,13bS)-

Molecular Formula

C27H42O4

Molecular Mass

430.62

Cite this Page

Chryseno[1,2-c]furan-1,13-diol, 1,3,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydro-5b,8,8,11a,13a-pentamethyl-, 13-acetate, (1R,5aS,5bR,7aS,11aS,11bR,13R,13aS,13bS)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=64825-80-5 (retrieved 2024-11-24) (CAS RN: 64825-80-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H42O4/c1-16(28)31-21-14-20-25(4)12-7-11-24(2,3)18(25)10-13-26(20,5)19-9-8-17-15-30-23(29)22(17)27(19,21)6/h8,18-23,29H,7,9-15H2,1-6H3/t18-,19-,20+,21+,22+,23+,25-,26-,27+/m0/s1

InChIKey

InChIKey=IDZDIJBVDDHIIM-MWZFGUNWSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)(C(C)(C)CCC3)[H])(C[C@@H](OC(C)=O)[C@@]4(C)[C@]2(CC=C5[C@@]4([C@H](O)OC5)[H])[H])[H]

Canonical SMILES

O=C(OC1CC2C3(C)CCCC(C)(C)C3CCC2(C)C4CC=C5COC(O)C5C14C)C

Other Names for this Substance

  • Chryseno[1,2-c]furan-1,13-diol, 1,3,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydro-5b,8,8,11a,13a-pentamethyl-, 13-acetate, (1R,5aS,5bR,7aS,11aS,11bR,13R,13aS,13bS)-
  • D-Homoandrost-16(2′H)-eno[17,17a-c]furan-5′,12-diol, 5′,17a-dihydro-4,4,8-trimethyl-, 12-acetate, (5α,5′α,12β,17aα)-
  • Chryseno[1,2-c]furan-1,13-diol, 1,3,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydro-5b,8,8,11a,13a-pentamethyl-, 13-acetate, [1R-(1α,5aα,5bβ,7aα,11aβ,11bα,13β,13aβ,13bβ)]-
  • 12-epi-Deoxoscalarin

Deleted or Replaced CAS Registry Numbers

75266-26-1

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