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

CAS Registry Number®

122587-82-0

CAS Name

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

Molecular Formula

C31H42O11

Molecular Mass

590.66

Cite this Page

2-Butenoic acid, 2-methyl-, (1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-5-[(2S)-2-(acetyloxy)-2-(2,5-dihydro-5-oxo-3-furanyl)ethyl]-8a-[(acetyloxy)methyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2′-oxiran]-4-yl ester, (2E)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=122587-82-0 (retrieved 2024-12-24) (CAS RN: 122587-82-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H42O11/c1-8-17(2)28(36)42-23-9-10-30(15-39-30)31(16-38-19(4)32)25(41-21(6)34)11-18(3)29(7,27(23)31)13-24(40-20(5)33)22-12-26(35)37-14-22/h8,12,18,23-25,27H,9-11,13-16H2,1-7H3/b17-8+/t18-,23-,24+,25+,27-,29+,30+,31-/m1/s1

InChIKey

InChIKey=IAAHUGSOWYSQSN-BEEMTZEWSA-N

SMILES

C(OC(C)=O)[C@]12[C@@]3(CO3)CC[C@@H](OC(/C(=C/C)/C)=O)[C@@]1([C@](C[C@H](OC(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)CC2(C)C(C)CC(OC(=O)C)C3(COC(=O)C)C2C(OC(=O)C(=CC)C)CCC43OC4

Other Names for this Substance

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

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