2-Butenoic acid, 2-methyl-, (1S)-2-[(1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-4-[(2S)-2-methyl-1-oxobutoxy]spiro[naphthalene-1(2H),2′-oxiran]-5-yl]-1-(2,5-dihydro-5-oxo-3-furanyl)ethyl ester, (2E)-

CAS Registry Number®

122616-88-0

CAS Name

2-Butenoic acid, 2-methyl-, (1S)-2-[(1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-4-[(2S)-2-methyl-1-oxobutoxy]spiro[naphthalene-1(2H),2′-oxiran]-5-yl]-1-(2,5-dihydro-5-oxo-3-furanyl)ethyl ester, (2E)-

Molecular Formula

C34H48O11

Molecular Mass

632.74

Cite this Page

2-Butenoic acid, 2-methyl-, (1S)-2-[(1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-4-[(2S)-2-methyl-1-oxobutoxy]spiro[naphthalene-1(2H),2′-oxiran]-5-yl]-1-(2,5-dihydro-5-oxo-3-furanyl)ethyl ester, (2E)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=122616-88-0 (retrieved 2025-03-15) (CAS RN: 122616-88-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H48O11/c1-9-19(3)30(38)44-25-11-12-33(17-42-33)34(18-41-22(6)35)27(43-23(7)36)13-21(5)32(8,29(25)34)15-26(24-14-28(37)40-16-24)45-31(39)20(4)10-2/h10,14,19,21,25-27,29H,9,11-13,15-18H2,1-8H3/b20-10+/t19-,21+,25+,26-,27-,29+,32-,33-,34+/m0/s1

InChIKey

InChIKey=YUTIPMUBYJJHKA-LZLNCZMXSA-N

SMILES

C(OC(C)=O)[C@]12[C@@]3(CO3)CC[C@@H](OC([C@H](CC)C)=O)[C@@]1([C@](C[C@H](OC(/C(=C/C)/C)=O)C4=CC(=O)OC4)(C)[C@H](C)C[C@@H]2OC(C)=O)[H]

Canonical SMILES

O=C1OCC(=C1)C(OC(=O)C(=CC)C)CC2(C)C(C)CC(OC(=O)C)C3(COC(=O)C)C2C(OC(=O)C(C)CC)CCC43OC4

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, (1S)-2-[(1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-4-[(2S)-2-methyl-1-oxobutoxy]spiro[naphthalene-1(2H),2′-oxiran]-5-yl]-1-(2,5-dihydro-5-oxo-3-furanyl)ethyl ester, (2E)-
  • 2-Butenoic acid, 2-methyl-, 2-[8-(acetyloxy)-8a-[(acetyloxy)methyl]octahydro-5,6-dimethyl-4-(2-methyl-1-oxobutoxy)spiro[naphthalene-1(2H),2′-oxiran]-5-yl]-1-(2,5-dihydro-5-oxo-3-furanyl)ethyl ester, [1R-[1α,4β(S*),4aβ,5β[S*(E)],6α,8α,8aα]]-
  • Spiro[naphthalene-1(2H),2′-oxirane], 2-butenoic acid deriv.
  • Ajugamarin H 1

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