(4aS,6aS,7S,7aS,9aS,11S,13R,15aR,16aS,16bR)-1,4a,5,7,7a,8,9,11,12,13,14,16,16a,16b-Tetradecahydro-2,7,7a,11,16a-pentamethyl-4H,10H-9a,13-epoxy-15a,7-(epoxyethano)azepino[1,2-a]naphtho[2,1-g]quinoline-4,6,18(6aH)-trione

CAS Registry Number®

164991-65-5

CAS Name

(4aS,6aS,7S,7aS,9aS,11S,13R,15aR,16aS,16bR)-1,4a,5,7,7a,8,9,11,12,13,14,16,16a,16b-Tetradecahydro-2,7,7a,11,16a-pentamethyl-4H,10H-9a,13-epoxy-15a,7-(epoxyethano)azepino[1,2-a]naphtho[2,1-g]quinoline-4,6,18(6aH)-trione

Molecular Formula

C29H39NO5

Molecular Mass

481.62

Cite this Page

(4aS,6aS,7S,7aS,9aS,11S,13R,15aR,16aS,16bR)-1,4a,5,7,7a,8,9,11,12,13,14,16,16a,16b-Tetradecahydro-2,7,7a,11,16a-pentamethyl-4H,10H-9a,13-epoxy-15a,7-(epoxyethano)azepino[1,2-a]naphtho[2,1-g]quinoline-4,6,18(6aH)-trione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=164991-65-5 (retrieved 2024-12-05) (CAS RN: 164991-65-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    273-276 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H39NO5/c1-16-9-20-19(21(31)10-16)11-22(32)24-25(20,3)15-29-27(5,26(24,4)13-23(33)35-29)6-7-28-12-17(2)8-18(34-28)14-30(28)29/h10,17-20,24H,6-9,11-15H2,1-5H3/t17-,18?,19-,20+,24-,25-,26-,27-,28-,29+/m0/s1

InChIKey

InChIKey=RNNGFZNWONBXEI-VUOIZYLOSA-N

SMILES

C[C@]12[C@@]3(N4[C@@]5(CC1)OC(C4)(C[C@H](C)C5)[H])C[C@]6(C)[C@@]([C@]2(C)CC(=O)O3)(C(=O)C[C@]7([C@]6(CC(C)=CC7=O)[H])[H])[H]

Canonical SMILES

O=C1OC23N4CC5OC4(CCC2(C)C(C)(C1)C6C(=O)CC7C(=O)C=C(C)CC7C6(C)C3)CC(C)C5

Other Names for this Substance

  • 4H,10H-9a,13-Epoxy-15a,7-(epoxyethano)azepino[1,2-a]naphtho[2,1-g]quinoline-4,6,18(6aH)-trione, 1,4a,5,7,7a,8,9,11,12,13,14,16,16a,16b-tetradecahydro-2,7,7a,11,16a-pentamethyl-, (4aS,6aS,7S,7aS,9aS,11S,13R,15aR,16aS,16bR)-
  • 4H,10H-9a,13-Epoxy-15a,7-(epoxyethano)azepino[1,2-a]naphtho[2,1-g]quinoline-4,6,18(6aH)-trione, 1,4a,5,7,7a,8,9,11,12,13,14,16,16a,16b-tetradecahydro-2,7,7a,11,16a-pentamethyl-, [4aS-(4aα,6aβ,7α,7aβ,9aβ,11β,13β,15aα,16aα,16bβ)]-
  • (4aS,6aS,7S,7aS,9aS,11S,13R,15aR,16aS,16bR)-1,4a,5,7,7a,8,9,11,12,13,14,16,16a,16b-Tetradecahydro-2,7,7a,11,16a-pentamethyl-4H,10H-9a,13-epoxy-15a,7-(epoxyethano)azepino[1,2-a]naphtho[2,1-g]quinoline-4,6,18(6aH)-trione
  • Norzoanthamine
  • 19-Demethylzoanthamine

View All

Deleted or Replaced CAS Registry Numbers

2020351-64-6

CAS INSIGHTSTM
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