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Methyl (2S,4aS,4bR,10aR,10bR,12aS)-1,4,4a,4b,5,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,5,8-tetraoxo-2H-phenanthro[1,2-c]pyran-2-carboxylate

CAS Registry Number®

71911-90-5
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CAS Name

Methyl (2S,4aS,4bR,10aR,10bR,12aS)-1,4,4a,4b,5,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,5,8-tetraoxo-2H-phenanthro[1,2-c]pyran-2-carboxylate

Molecular Formula

C26H32O9

Molecular Mass

488.53

Cite this Page

Methyl (2S,4aS,4bR,10aR,10bR,12aS)-1,4,4a,4b,5,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,5,8-tetraoxo-2H-phenanthro[1,2-c]pyran-2-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71911-90-5 (retrieved 2024-09-20) (CAS RN: 71911-90-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H32O9/c1-12-11-26(33)22(4)10-9-13(27)21(2,3)15(22)14(28)17(29)24(26,6)16-18(30)35-25(7,20(32)34-8)19(31)23(12,16)5/h16,28,33H,1,9-11H2,2-8H3/t16-,22+,23+,24-,25-,26+/m0/s1

InChIKey

InChIKey=CYHGEJACRPDZDP-RSQIKLETSA-N

SMILES

O[C@]12[C@@](C)([C@@]3([C@@](C)(C(=C)C1)C(=O)[C@](C(OC)=O)(C)OC3=O)[H])C(=O)C(O)=C4[C@@]2(C)CCC(=O)C4(C)C

Canonical SMILES

O=C1OC(C(=O)OC)(C(=O)C2(C(=C)CC3(O)C4(C(=C(O)C(=O)C3(C)C12)C(C(=O)CC4)(C)C)C)C)C

Other Names for this Substance

  • 2H-Phenanthro[1,2-c]pyran-2-carboxylic acid, 1,4,4a,4b,5,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,5,8-tetraoxo-, methyl ester, (2S,4aS,4bR,10aR,10bR,12aS)-
  • D-Homo-16-oxaandrost-5-ene-17-carboxylic acid, 6,9-dihydroxy-4,4,8,17-tetramethyl-12-methylene-3,7,15,17a-tetraoxo-, methyl ester, (17α)-
  • Methyl (2S,4aS,4bR,10aR,10bR,12aS)-1,4,4a,4b,5,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylene-1,4,5,8-tetraoxo-2H-phenanthro[1,2-c]pyran-2-carboxylate
  • Terretonin