Scutebarbatine F

CAS Registry Number®

1207181-62-1

CAS Name

Scutebarbatine F

Molecular Formula

C30H37NO9

Molecular Mass

555.62

Cite this Page

Scutebarbatine F.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1207181-62-1 (retrieved 2024-11-28) (CAS RN: 1207181-62-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    130-132 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H37NO9/c1-17-9-10-21(39-26(35)20-8-7-13-31-15-20)23-27(4)11-12-30(14-22(34)36-16-30)40-29(27,6)25(38-19(3)33)24(28(17,23)5)37-18(2)32/h7-9,13,15,21,23-25H,10-12,14,16H2,1-6H3/t21-,23-,24+,25+,27-,28+,29+,30+/m1/s1

InChIKey

InChIKey=NVJGRPGPCIYGRC-LZUUMNQWSA-N

SMILES

C[C@@]12[C@@]3([C@@](C)([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]1(C)O[C@]4(CC2)COC(=O)C4)C(C)=CC[C@H]3OC(=O)C=5C=CC=NC5)[H]

Canonical SMILES

O=C(OC1CC=C(C)C2(C)C(OC(=O)C)C(OC(=O)C)C3(OC4(COC(=O)C4)CCC3(C)C12)C)C=5C=NC=CC5

Other Names for this Substance

  • 3-Pyridinecarboxylic acid, (3S,4′aR,5′S,6′R,6′aR,10′R,10′aS,10′bR)-5′,6′-bis(acetyloxy)-1′,2′,4,4′a,5,5′,6′,6′a,9′,10′,10′a,10′b-dodecahydro-4′a,6′a,7′,10′b-tetramethyl-5-oxospiro[furan-3(2H),3′-[3H]naphtho[2,1-b]pyran]-10′-yl ester
  • Scutebata F
  • Scutebarbatine F
  • Barbatine C

Deleted or Replaced CAS Registry Numbers

910099-78-4, 1202356-56-6

CAS INSIGHTSTM
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