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1′-O-Acetylpaxilline

CAS Registry Number®

121998-08-1

CAS Name

1′-O-Acetylpaxilline

Molecular Formula

C29H35NO5

Molecular Mass

477.59

Cite this Page

1′-O-Acetylpaxilline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=121998-08-1 (retrieved 2024-12-27) (CAS RN: 121998-08-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H35NO5/c1-16(31)35-26(2,3)25-22(32)15-20-23(34-25)11-12-27(4)28(5)17(10-13-29(20,27)33)14-19-18-8-6-7-9-21(18)30-24(19)28/h6-9,15,17,23,25,30,33H,10-14H2,1-5H3/t17-,23-,25-,27+,28+,29+/m0/s1

InChIKey

InChIKey=OHPVFSRTGKOAHP-FPCGACKZSA-N

SMILES

C[C@@]12[C@]3(C)[C@](O)(C=4[C@](CC3)(O[C@H](C(OC(C)=O)(C)C)C(=O)C4)[H])CC[C@]1(CC5=C2NC=6C5=CC=CC6)[H]

Canonical SMILES

O=C(OC(C)(C)C1OC2C(=CC1=O)C3(O)CCC4CC=5C=6C=CC=CC6NC5C4(C)C3(C)CC2)C

Other Names for this Substance

  • 2H-1-Benzopyrano[5′,6′:6,7]indeno[1,2-b]indol-3(4bH)-one, 2-[1-(acetyloxy)-1-methylethyl]-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-12b,12c-dimethyl-, (2R,4bS,6aS,12bS,12cR,14aS)-
  • 2H-1-Benzopyrano[5′,6′:6,7]indeno[1,2-b]indol-3(4bH)-one, 2-[1-(acetyloxy)-1-methylethyl]-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-12b,12c-dimethyl-, [2R-(2α,4bβ,6aα,12bβ,12cα,14aβ)]-
  • (2R,4bS,6aS,12bS,12cR,14aS)-2-[1-(Acetyloxy)-1-methylethyl]-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-12b,12c-dimethyl-2H-1-benzopyrano[5′,6′:6,7]indeno[1,2-b]indol-3(4bH)-one
  • 1′-O-Acetylpaxilline

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