Yunnanxane

CAS Registry Number®

139713-81-8

CAS Name

Yunnanxane

Molecular Formula

C31H46O9

Molecular Mass

562.69

Cite this Page

Yunnanxane.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=139713-81-8 (retrieved 2025-01-03) (CAS RN: 139713-81-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    161 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C31H46O9/c1-15-13-23(40-29(36)16(2)18(4)32)27-28(39-21(7)35)26-17(3)22(37-19(5)33)11-12-31(26,10)14-24(38-20(6)34)25(15)30(27,8)9/h16,18,22-24,26-28,32H,3,11-14H2,1-2,4-10H3/t16-,18+,22+,23+,24+,26+,27+,28+,31+/m1/s1

InChIKey

InChIKey=FMPIEMVVEJGMCY-YYURHUSPSA-N

SMILES

O(C(C)=O)[C@@H]1[C@@]2([C@@H](OC([C@@H]([C@H](C)O)C)=O)CC(C)=C(C2(C)C)[C@@H](OC(C)=O)C[C@@]3(C)[C@]1(C(=C)[C@@H](OC(C)=O)CC3)[H])[H]

Canonical SMILES

O=C(OC1C(=C)C2C(OC(=O)C)C3C(OC(=O)C(C)C(O)C)CC(=C(C(OC(=O)C)CC2(C)CC1)C3(C)C)C)C

Other Names for this Substance

  • Butanoic acid, 3-hydroxy-2-methyl-, (3S,4aS,5S,6S,7S,11S,12aS)-3,5,11-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-7-yl ester, (2R,3S)-
  • Butanoic acid, 3-hydroxy-2-methyl-, 3,5,11-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-7-yl ester, [3S-[3α,4aα,5α,6β,7β(2S*,3R*),11β,12aβ]]-
  • 6,10-Methanobenzocyclodecene, butanoic acid deriv.
  • Yunnanxane
  • (+)-Yunnanxane

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