Clerodendrin A

CAS Registry Number®

35481-70-0
No image available.

CAS Name

Clerodendrin A

Molecular Formula

C31H42O12

Molecular Mass

606.66

Cite this Page

Clerodendrin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=35481-70-0 (retrieved 2024-09-20) (CAS RN: 35481-70-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H42O12/c1-8-28(6,43-19(5)34)27(36)42-25-21(35)13-22-29(7,23-12-20-9-10-37-26(20)41-23)16(2)11-24(40-18(4)33)30(22,14-38-17(3)32)31(25)15-39-31/h9-11,20-26,35H,8,12-15H2,1-7H3/t20-,21-,22-,23+,24+,25+,26+,28-,29+,30+,31-/m1/s1

InChIKey

InChIKey=NXKWGKNTUFLKGN-NLDKIVAHSA-N

SMILES

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

Canonical SMILES

O=C(OCC12C(OC(=O)C)C=C(C)C(C)(C3OC4OC=CC4C3)C2CC(O)C(OC(=O)C(OC(=O)C)(C)CC)C51OC5)C

Other Names for this Substance

  • Butanoic acid, 2-(acetyloxy)-2-methyl-, (1R,2S,3R,4aR,5R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-3,4,4a,5,8,8a-hexahydro-3-hydroxy-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]spiro[naphthalene-1(2H),2′-oxiran]-2-yl ester, (2R)-
  • Caryoptinol, 7,8-didehydro-2-hydroxy-, 3-[2-(acetyloxy)-2-methylbutanoate], [2α,3β(R)]-
  • Clerodendrin A
  • Butanoic acid, 2-(acetyloxy)-2-methyl-, 8-(acetyloxy)-8a-[(acetyloxy)methyl]-3,4,4a,5,8,8a-hexahydro-3-hydroxy-5,6-dimethyl-5-(2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl)spiro[naphthalene-1(2H),2′-oxiran]-2-yl ester, [1R-[1α,2β(R*),3α,4aβ,5β(2S*,3aS*,6aS*),8α,8aα]]-