(1R,1′S,2S,3′R,3′aR,4S,5S,5′aR,6′S,6′aS,9′S,10′aR,10′bR,10′cR)-1′,3′-Bis(acetyloxy)-4-(3-furanyl)decahydro-5,6′-dihydroxy-3′a,5,10′b-trimethylspiro[cyclopentane-1,7′-[7H-6a,9]methano[1H,4H]furo[2′,3′,4′:4,5]naphtho[2,1-c]pyran]-2-yl (2E)-2-methyl-2-butenoate

CAS Registry Number®

220137-96-2

CAS Name

(1R,1′S,2S,3′R,3′aR,4S,5S,5′aR,6′S,6′aS,9′S,10′aR,10′bR,10′cR)-1′,3′-Bis(acetyloxy)-4-(3-furanyl)decahydro-5,6′-dihydroxy-3′a,5,10′b-trimethylspiro[cyclopentane-1,7′-[7H-6a,9]methano[1H,4H]furo[2′,3′,4′:4,5]naphtho[2,1-c]pyran]-2-yl (2E)-2-methyl-2-butenoate

Molecular Formula

C35H46O11

Molecular Mass

642.73

Cite this Page

(1R,1′S,2S,3′R,3′aR,4S,5S,5′aR,6′S,6′aS,9′S,10′aR,10′bR,10′cR)-1′,3′-Bis(acetyloxy)-4-(3-furanyl)decahydro-5,6′-dihydroxy-3′a,5,10′b-trimethylspiro[cyclopentane-1,7′-[7H-6a,9]methano[1H,4H]furo[2′,3′,4′:4,5]naphtho[2,1-c]pyran]-2-yl (2E)-2-methyl-2-butenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=220137-96-2 (retrieved 2024-12-24) (CAS RN: 220137-96-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H46O11/c1-8-17(2)30(39)45-26-12-22(20-9-10-41-15-20)33(7,40)35(26)34-14-21(46-35)11-23(34)32(6)25(44-19(4)37)13-24(43-18(3)36)31(5)16-42-27(28(31)32)29(34)38/h8-10,15,21-29,38,40H,11-14,16H2,1-7H3/b17-8+/t21-,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33-,34-,35+/m0/s1

InChIKey

InChIKey=JTNATBHVCGLKLX-VBDUHTBISA-N

SMILES

O[C@H]1[C@]23[C@]4([C@@H](OC(/C(=C/C)/C)=O)C[C@H]([C@]4(C)O)C=5C=COC5)O[C@](C2)(C[C@@]3([C@]6(C)[C@]7([C@]1(OC[C@]7(C)[C@H](OC(C)=O)C[C@@H]6OC(C)=O)[H])[H])[H])[H]

Canonical SMILES

O=C(OC1CC(C2=COC=C2)C(O)(C)C31OC4CC5C6(C)C(OC(=O)C)CC(OC(=O)C)C7(C)COC(C(O)C53C4)C76)C(=CC)C

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, (1R,1′S,2S,3′R,3′aR,4S,5S,5′aR,6′S,6′aS,9′S,10′aR,10′bR,10′cR)-1′,3′-bis(acetyloxy)-4-(3-furanyl)decahydro-5,6′-dihydroxy-3′a,5,10′b-trimethylspiro[cyclopentane-1,7′-[7H-6a,9]methano[1H,4H]furo[2′,3′,4′:4,5]naphtho[2,1-c]pyran]-2-yl ester, (2E)-
  • (1R,1′S,2S,3′R,3′aR,4S,5S,5′aR,6′S,6′aS,9′S,10′aR,10′bR,10′cR)-1′,3′-Bis(acetyloxy)-4-(3-furanyl)decahydro-5,6′-dihydroxy-3′a,5,10′b-trimethylspiro[cyclopentane-1,7′-[7H-6a,9]methano[1H,4H]furo[2′,3′,4′:4,5]naphtho[2,1-c]pyran]-2-yl (2E)-2-methyl-2-butenoate
  • Spirosendan

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.