Clerodin

CAS Registry Number®

464-71-1

CAS Name

Clerodin

Molecular Formula

C24H34O7

Molecular Mass

434.52

Cite this Page

Clerodin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=464-71-1 (retrieved 2025-01-05) (CAS RN: 464-71-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    120-161 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1

InChIKey

InChIKey=CNIWQELMLPUFOS-NVSXQWMQSA-N

SMILES

C(OC(C)=O)[C@]12[C@@]3(CO3)CCC[C@@]1([C@](C)([C@H](C)C[C@@H]2OC(C)=O)[C@@]4(C[C@@]5([C@](O4)(OC=C5)[H])[H])[H])[H]

Canonical SMILES

O=C(OCC12C(OC(=O)C)CC(C)C(C)(C3OC4OC=CC4C3)C2CCCC51OC5)C

Other Names for this Substance

  • Spiro[naphthalene-1(8aH),2′-oxirane]-8a-methanol, 8-(acetyloxy)octahydro-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]-, 8a-acetate, (1R,4aR,5S,6R,8S,8aR)-
  • Clerodin
  • Caryoptinol, 3-deoxy-
  • Spiro[naphthalene-1(8aH),2′-oxirane]-8a-methanol, 8-(acetyloxy)octahydro-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]-, acetate, (1R,4aR,5S,6R,8S,8aR)-
  • Furo[2,3-b]furan, caryoptinol deriv.

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