Pseudojervine

CAS Registry Number®

36069-05-3

CAS Name

Pseudojervine

Molecular Formula

C33H49NO8

Molecular Mass

587.74

Cite this Page

Pseudojervine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=36069-05-3 (retrieved 2024-11-21) (CAS RN: 36069-05-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    304-305.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C33H49NO8/c1-15-11-22-26(34-13-15)17(3)33(42-22)10-8-20-21-6-5-18-12-19(40-31-30(39)29(38)27(36)23(14-35)41-31)7-9-32(18,4)25(21)28(37)24(20)16(33)2/h5,15,17,19-23,25-27,29-31,34-36,38-39H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,22+,23+,25+,26-,27+,29-,30+,31+,32-,33-/m0/s1

InChIKey

InChIKey=HYDDDNUKNMMWBD-VPLHBGEQSA-N

SMILES

CC=1[C@@]2(O[C@]3([C@]([C@H]2C)(NC[C@@H](C)C3)[H])[H])CC[C@@]4(C1C(=O)[C@]5([C@]4(CC=C6[C@]5(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C6)[H])[H])[H]

Canonical SMILES

O=C1C2=C(C)C3(OC4CC(C)CNC4C3C)CCC2C5CC=C6CC(OC7OC(CO)C(O)C(O)C7O)CCC6(C)C15

Other Names for this Substance

  • Spiro[9H-benzo[a]fluorene-9,2′(3′H)-furo[3,2-b]pyridin]-11(1H)-one, 3-(β-D-glucopyranosyloxy)-2,3,3′a,4,4′,5′,6,6′,6a,6b,7,7′,7′a,8,11a,11b-hexadecahydro-3′,6′,10,11b-tetramethyl-, (2′R,3S,3′R,3′aS,6′S,6aS,6bS,7′aR,11aS,11bR)-
  • Pseudojervine
  • Veratraman-11-one, 17,23-epoxy-3-(β-D-glucopyranosyloxy)-, (3β,23β)-
  • Jervine, 3β-(D-glucopyranosyloxy)-
  • (2′R,3S,3′R,3′aS,6′S,6aS,6bS,7′aR,11aS,11bR)-3-(β-D-Glucopyranosyloxy)-2,3,3′a,4,4′,5′,6,6′,6a,6b,7,7′,7′a,8,11a,11b-hexadecahydro-3′,6′,10,11b-tetramethylspiro[9H-benzo[a]fluorene-9,2′(3′H)-furo[3,2-b]pyridin]-11(1H)-one

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Deleted or Replaced CAS Registry Numbers

11016-46-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration