6-Methyl (3R,3aR,6R,7R,9bR)-3-[(1S,2R,4Z)-2-(acetyloxy)-5-carboxy-1-methyl-4-hexen-1-yl]-6-[(acetyloxy)methyl]-2,3,3a,4,5,6,7,8,9,9b-decahydro-7-(1-hydroxy-1-methylethyl)-3a,9b-dimethyl-1H-benz[e]indene-6-propanoate

CAS Registry Number®

1031798-95-4

CAS Name

6-Methyl (3R,3aR,6R,7R,9bR)-3-[(1S,2R,4Z)-2-(acetyloxy)-5-carboxy-1-methyl-4-hexen-1-yl]-6-[(acetyloxy)methyl]-2,3,3a,4,5,6,7,8,9,9b-decahydro-7-(1-hydroxy-1-methylethyl)-3a,9b-dimethyl-1H-benz[e]indene-6-propanoate

Molecular Formula

C35H54O9

Molecular Mass

618.80

Cite this Page

6-Methyl (3R,3aR,6R,7R,9bR)-3-[(1S,2R,4Z)-2-(acetyloxy)-5-carboxy-1-methyl-4-hexen-1-yl]-6-[(acetyloxy)methyl]-2,3,3a,4,5,6,7,8,9,9b-decahydro-7-(1-hydroxy-1-methylethyl)-3a,9b-dimethyl-1H-benz[e]indene-6-propanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1031798-95-4 (retrieved 2024-11-08) (CAS RN: 1031798-95-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H54O9/c1-21(31(39)40)10-12-28(44-24(4)37)22(2)25-14-17-34(8)26-11-13-29(32(5,6)41)35(20-43-23(3)36,19-16-30(38)42-9)27(26)15-18-33(25,34)7/h10,22,25,28-29,41H,11-20H2,1-9H3,(H,39,40)/b21-10-/t22-,25+,28+,29-,33+,34-,35-/m0/s1

InChIKey

InChIKey=NAIJFFZGPGRMSV-SGTCUYSDSA-N

SMILES

C(CC(OC)=O)[C@]1(COC(C)=O)C2=C([C@@]3(C)[C@](C)(CC2)[C@@]([C@@H]([C@@H](C/C=C(\C(O)=O)/C)OC(C)=O)C)(CC3)[H])CC[C@H]1[C@](C)(C)O

Canonical SMILES

O=C(O)C(=CCC(OC(=O)C)C(C)C1CCC2(C3=C(CCC12C)C(COC(=O)C)(CCC(=O)OC)C(CC3)C(O)(C)C)C)C

Other Names for this Substance

  • 1H-Benz[e]indene-6-propanoic acid, 3-[(1S,2R,4Z)-2-(acetyloxy)-5-carboxy-1-methyl-4-hexen-1-yl]-6-[(acetyloxy)methyl]-2,3,3a,4,5,6,7,8,9,9b-decahydro-7-(1-hydroxy-1-methylethyl)-3a,9b-dimethyl-, 6-methyl ester, (3R,3aR,6R,7R,9bR)-
  • 6-Methyl (3R,3aR,6R,7R,9bR)-3-[(1S,2R,4Z)-2-(acetyloxy)-5-carboxy-1-methyl-4-hexen-1-yl]-6-[(acetyloxy)methyl]-2,3,3a,4,5,6,7,8,9,9b-decahydro-7-(1-hydroxy-1-methylethyl)-3a,9b-dimethyl-1H-benz[e]indene-6-propanoate
  • Colossolactone V

CAS INSIGHTSTM
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