Butanedioic acid, 1-[(2S,3R,6S,8R,9S)-8-[(2E,4E,6S,7S,8E)-9-carboxy-6-hydroxy-3,7-dimethyl-2,4,8-nonatrien-1-yl]-2-[(1E,3E)-4-carboxy-3-methyl-1,3-butadien-1-yl]-9-methyl-3-(3-methylbutyl)-1,7-dioxaspiro[5.5]undec-3-yl] ester

CAS Registry Number®

144860-69-5
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CAS Name

Butanedioic acid, 1-[(2S,3R,6S,8R,9S)-8-[(2E,4E,6S,7S,8E)-9-carboxy-6-hydroxy-3,7-dimethyl-2,4,8-nonatrien-1-yl]-2-[(1E,3E)-4-carboxy-3-methyl-1,3-butadien-1-yl]-9-methyl-3-(3-methylbutyl)-1,7-dioxaspiro[5.5]undec-3-yl] ester

Molecular Formula

C37H54O11

Molecular Mass

674.82

Cite this Page

Butanedioic acid, 1-[(2S,3R,6S,8R,9S)-8-[(2E,4E,6S,7S,8E)-9-carboxy-6-hydroxy-3,7-dimethyl-2,4,8-nonatrien-1-yl]-2-[(1E,3E)-4-carboxy-3-methyl-1,3-butadien-1-yl]-9-methyl-3-(3-methylbutyl)-1,7-dioxaspiro[5.5]undec-3-yl] ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=144860-69-5 (retrieved 2024-05-08) (CAS RN: 144860-69-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H54O11/c1-24(2)17-19-36(48-35(45)16-15-33(41)42)21-22-37(47-31(36)13-9-26(4)23-34(43)44)20-18-28(6)30(46-37)12-8-25(3)7-11-29(38)27(5)10-14-32(39)40/h7-11,13-14,23-24,27-31,38H,12,15-22H2,1-6H3,(H,39,40)(H,41,42)(H,43,44)/b11-7+,13-9+,14-10+,25-8+,26-23+/t27-,28-,29-,30+,31-,36+,37-/m0/s1

InChIKey

InChIKey=NDQHXHWOEDTFCC-UHWSPUDNSA-N

SMILES

O(C(CCC(O)=O)=O)[C@@]1(CCC(C)C)[C@H](/C=C/C(=C/C(O)=O)/C)O[C@@]2(CC1)O[C@H](C/C=C(/C=C/[C@@H]([C@H](/C=C/C(O)=O)C)O)\C)[C@@H](C)CC2

Canonical SMILES

O=C(O)C=CC(C)C(O)C=CC(=CCC1OC2(OC(C=CC(=CC(=O)O)C)C(OC(=O)CCC(=O)O)(CCC(C)C)CC2)CCC1C)C

Other Names for this Substance

  • Butanedioic acid, 1-[(2S,3R,6S,8R,9S)-8-[(2E,4E,6S,7S,8E)-9-carboxy-6-hydroxy-3,7-dimethyl-2,4,8-nonatrien-1-yl]-2-[(1E,3E)-4-carboxy-3-methyl-1,3-butadien-1-yl]-9-methyl-3-(3-methylbutyl)-1,7-dioxaspiro[5.5]undec-3-yl] ester
  • Butanedioic acid, mono[(2S,3R,6S,8R,9S)-8-[(2E,4E,6S,7S,8E)-9-carboxy-6-hydroxy-3,7-dimethyl-2,4,8-nonatrienyl]-2-[(1E,3E)-4-carboxy-3-methyl-1,3-butadienyl]-9-methyl-3-(3-methylbutyl)-1,7-dioxaspiro[5.5]undec-3-yl] ester
  • 1,7-Dioxaspiro[5.5]undecane, butanedioic acid deriv.
  • Reveromycin C

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