Ajugarin I

CAS Registry Number®

62640-05-5
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CAS Name

Ajugarin I

Molecular Formula

C24H34O7

Molecular Mass

434.52

Cite this Page

Ajugarin I.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=62640-05-5 (retrieved 2024-09-19) (CAS RN: 62640-05-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    155-157 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H34O7/c1-15-10-20(31-17(3)26)24(14-29-16(2)25)19(6-5-8-23(24)13-30-23)22(15,4)9-7-18-11-21(27)28-12-18/h11,15,19-20H,5-10,12-14H2,1-4H3/t15-,19-,20+,22+,23+,24+/m1/s1

InChIKey

InChIKey=RNYBNBANBCQZON-PGQNDPHJSA-N

SMILES

C(OC(C)=O)[C@]12[C@@]3(CO3)CCC[C@@]1([C@](CCC4=CC(=O)OC4)(C)[C@H](C)C[C@@H]2OC(C)=O)[H]

Canonical SMILES

O=C1OCC(=C1)CCC2(C)C(C)CC(OC(=O)C)C3(COC(=O)C)C2CCCC43OC4

Other Names for this Substance

  • 2(5H)-Furanone, 4-[2-[(1R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2′-oxiran]-5-yl]ethyl]-
  • 2(5H)-Furanone, 4-[2-[8-(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2′-oxiran]-5-yl]ethyl]-, [1R-(1α,4aβ,5β,6α,8α,8aα)]-
  • Spiro[naphthalene-1(2H),2′-oxirane], 2(5H)-furanone deriv.
  • 4-[2-[(1R,4aR,5S,6R,8S,8aR)-8-(Acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2′-oxiran]-5-yl]ethyl]-2(5H)-furanone
  • Ajugarin I