8-[(4,5-Dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)amino]-8-oxooctyl (2E)-5,9-anhydro-2,3,8-trideoxy-8-[(2E,4R,5S)-5-hydroxy-4-methyl-2-hexen-1-yl]-3-methyl-L-glycero-D-altro-non-2-enonate

CAS Registry Number®

146697-04-3

CAS Name

8-[(4,5-Dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)amino]-8-oxooctyl (2E)-5,9-anhydro-2,3,8-trideoxy-8-[(2E,4R,5S)-5-hydroxy-4-methyl-2-hexen-1-yl]-3-methyl-L-glycero-D-altro-non-2-enonate

Molecular Formula

C30H44N2O9S2

Molecular Mass

640.81

Cite this Page

8-[(4,5-Dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)amino]-8-oxooctyl (2E)-5,9-anhydro-2,3,8-trideoxy-8-[(2E,4R,5S)-5-hydroxy-4-methyl-2-hexen-1-yl]-3-methyl-L-glycero-D-altro-non-2-enonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=146697-04-3 (retrieved 2025-03-14) (CAS RN: 146697-04-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H44N2O9S2/c1-17(19(3)33)10-9-11-20-15-41-28(27(38)26(20)37)25(36)18(2)14-23(35)40-13-8-6-4-5-7-12-22(34)32-24-29-21(16-42-43-29)31-30(24)39/h9-10,14,16-17,19-20,25-28,33,36-38H,4-8,11-13,15H2,1-3H3,(H,31,39)(H,32,34)/b10-9+,18-14+/t17-,19+,20+,25-,26-,27-,28+/m1/s1

InChIKey

InChIKey=JIEMCPGFAXNCQW-XVYZEKPJSA-N

SMILES

N(C(CCCCCCCOC(/C=C(/[C@@H](O)[C@]1([C@H](O)[C@H](O)[C@@H](C/C=C/[C@H]([C@H](C)O)C)CO1)[H])\C)=O)=O)C2=C3C(NC2=O)=CSS3

Canonical SMILES

O=C(OCCCCCCCC(=O)NC=1C(=O)NC2=CSSC21)C=C(C)C(O)C3OCC(CC=CC(C)C(O)C)C(O)C3O

Other Names for this Substance

  • L-glycero-D-altro-Non-2-enonic acid, 5,9-anhydro-2,3,8-trideoxy-8-[(2E,4R,5S)-5-hydroxy-4-methyl-2-hexen-1-yl]-3-methyl-, 8-[(4,5-dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)amino]-8-oxooctyl ester, (2E)-
  • L-glycero-D-altro-Non-2-enonic acid, 5,9-anhydro-2,3,8-trideoxy-8-[(2E,4R,5S)-5-hydroxy-4-methyl-2-hexenyl]-3-methyl-, 8-[(4,5-dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)amino]-8-oxooctyl ester, (2E)-
  • 8-[(4,5-Dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)amino]-8-oxooctyl (2E)-5,9-anhydro-2,3,8-trideoxy-8-[(2E,4R,5S)-5-hydroxy-4-methyl-2-hexen-1-yl]-3-methyl-L-glycero-D-altro-non-2-enonate
  • Thiomarinol A
  • 4-Hydroxythiomarinol C

CAS INSIGHTSTM
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