(3S,4′aR,5′S,6′R,6′aR,10′R,10′aS,10′bR)-5′,10′-Bis(benzoyloxy)-1′,2′,4′a,5′,6′,6′a,9′,10′,10′a,10′b-decahydro-4′a,6′a,7′,10′b-tetramethyl-5-oxospiro[furan-3(2H),3′-[3H]naphtho[2,1-b]pyran]-6′-yl 3-pyridinecarboxylate

CAS Registry Number®

1207181-63-2

CAS Name

(3S,4′aR,5′S,6′R,6′aR,10′R,10′aS,10′bR)-5′,10′-Bis(benzoyloxy)-1′,2′,4′a,5′,6′,6′a,9′,10′,10′a,10′b-decahydro-4′a,6′a,7′,10′b-tetramethyl-5-oxospiro[furan-3(2H),3′-[3H]naphtho[2,1-b]pyran]-6′-yl 3-pyridinecarboxylate

Molecular Formula

C40H41NO9

Molecular Mass

679.75

Cite this Page

(3S,4′aR,5′S,6′R,6′aR,10′R,10′aS,10′bR)-5′,10′-Bis(benzoyloxy)-1′,2′,4′a,5′,6′,6′a,9′,10′,10′a,10′b-decahydro-4′a,6′a,7′,10′b-tetramethyl-5-oxospiro[furan-3(2H),3′-[3H]naphtho[2,1-b]pyran]-6′-yl 3-pyridinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1207181-63-2 (retrieved 2024-12-26) (CAS RN: 1207181-63-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H41NO9/c1-25-17-18-29(47-34(43)26-12-7-5-8-13-26)31-37(2)19-20-40(22-30(42)46-24-40)50-39(37,4)33(49-35(44)27-14-9-6-10-15-27)32(38(25,31)3)48-36(45)28-16-11-21-41-23-28/h5-17,21,23,29,31-33H,18-20,22,24H2,1-4H3/t29-,31-,32+,33+,37-,38+,39+,40+/m1/s1

InChIKey

InChIKey=GREIZWACRDERNJ-RXCLYVCLSA-N

SMILES

C[C@@]12[C@@]3([C@@](C)([C@@H](OC(=O)C=4C=CC=NC4)[C@H](OC(=O)C5=CC=CC=C5)[C@]1(C)O[C@@]6(CC2)CC(=O)OC6)C(C)=CC[C@H]3OC(=O)C7=CC=CC=C7)[H]

Canonical SMILES

O=C(OC1CC=C(C)C2(C)C(OC(=O)C=3C=NC=CC3)C(OC(=O)C=4C=CC=CC4)C5(OC6(COC(=O)C6)CCC5(C)C12)C)C=7C=CC=CC7

Other Names for this Substance

  • 3-Pyridinecarboxylic acid, (3S,4′aR,5′S,6′R,6′aR,10′R,10′aS,10′bR)-5′,10′-bis(benzoyloxy)-1′,2′,4′a,5′,6′,6′a,9′,10′,10′a,10′b-decahydro-4′a,6′a,7′,10′b-tetramethyl-5-oxospiro[furan-3(2H),3′-[3H]naphtho[2,1-b]pyran]-6′-yl ester
  • (3S,4′aR,5′S,6′R,6′aR,10′R,10′aS,10′bR)-5′,10′-Bis(benzoyloxy)-1′,2′,4′a,5′,6′,6′a,9′,10′,10′a,10′b-decahydro-4′a,6′a,7′,10′b-tetramethyl-5-oxospiro[furan-3(2H),3′-[3H]naphtho[2,1-b]pyran]-6′-yl 3-pyridinecarboxylate
  • Scutebata G

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