(1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-Decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl 3-methyl-2-butenoate

CAS Registry Number®

21899-50-3

CAS Name

(1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-Decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl 3-methyl-2-butenoate

Molecular Formula

C20H22O7

Molecular Mass

374.38

Cite this Page

(1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-Decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl 3-methyl-2-butenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21899-50-3 (retrieved 2024-12-22) (CAS RN: 21899-50-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    242-244 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H22O7/c1-9(2)5-14(21)25-13-7-11-6-12(24-19(11)23)8-20(4)17(27-20)16-15(13)10(3)18(22)26-16/h5-6,12-13,15-17H,3,7-8H2,1-2,4H3/t12-,13-,15+,16-,17+,20+/m0/s1

InChIKey

InChIKey=HSTUUCOYVIWGLJ-DXUAHVLSSA-N

SMILES

C[C@]12[C@@]([C@@]3([C@@]([C@@H](OC(C=C(C)C)=O)CC4=C[C@@](C1)(OC4=O)[H])(C(=C)C(=O)O3)[H])[H])(O2)[H]

Canonical SMILES

O=C(OC1CC2=CC(OC2=O)CC3(OC3C4OC(=O)C(=C)C14)C)C=C(C)C

Other Names for this Substance

  • 2-Butenoic acid, 3-methyl-, (1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl ester
  • Germacra-1(10),11(13)-diene-12,14-dioic acid, 4,5α-epoxy-2β,6α,8α-trihydroxy-, 12,6:14,2-dilactone, 3-methylcrotonate
  • Elephantin
  • 2-Butenoic acid, 3-methyl-, 1a,2,3,7,8,8a,9,10,11a,11b-decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl ester, [1aR-(1aR*,3R*,8S*,8aR*,11aS*,11bR*)]-
  • Crotonic acid, 3-methyl-, 8-ester with 4,5α-epoxy-2β,6α,8α-trihydroxygermacra-1(10),11(13)-diene-12,14-dioic acid di-γ-lactone

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Deleted or Replaced CAS Registry Numbers

10247-73-1

CAS INSIGHTSTM
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