Nomilin

CAS Registry Number®

1063-77-0
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CAS Name

Nomilin

Molecular Formula

C28H34O9

Molecular Mass

514.56

Cite this Page

Nomilin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1063-77-0 (retrieved 2024-04-25) (CAS RN: 1063-77-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    278-279 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3/t16-,17+,19+,21+,22-,25+,26-,27+,28-/m1/s1

InChIKey

InChIKey=KPDOJFFZKAUIOE-WNGDLQANSA-N

SMILES

C[C@]12[C@]34[C@](C)([C@@H](OC(=O)[C@]3(O4)[H])C=5C=COC5)CC[C@@]1([C@]6(C)[C@@](CC2=O)(C(C)(C)OC(=O)C[C@@H]6OC(C)=O)[H])[H]

Canonical SMILES

O=C(OC1CC(=O)OC(C)(C)C2CC(=O)C3(C)C(CCC4(C)C(OC(=O)C5OC534)C6=COC=C6)C12C)C

Other Names for this Substance

  • Oxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione, 11-(acetyloxy)-1-(3-furanyl)decahydro-4b,7,7,11a,13a-pentamethyl-, (1S,3aS,4aR,4bR,6aR,11S,11aR,11bR,13aS)-
  • Oxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione, 1-(3-furyl)decahydro-11-hydroxy-4b,7,7,11a,13a-pentamethyl-, acetate
  • Nomilin
  • Obacunoic acid, 1-(acetyloxy)-1,2-dihydro-, ε-lactone
  • (1S,3aS,4aR,4bR,6aR,11S,11aR,11bR,13aS)-11-(Acetyloxy)-1-(3-furanyl)decahydro-4b,7,7,11a,13a-pentamethyloxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione

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