N2-[(2E,4E,6E,11R)-12-[(4S,4aS,6R,8S,8aR)-Hexahydro-4-[[(2S)-2-hydroxy-2-[(2R,5R,6R)-tetrahydro-2-methoxy-5,6-dimethyl-4-methylene-2H-pyran-2-yl]acetyl]amino]-8-methoxy-7,7-dimethylpyrano[3,2-d]-1,3-dioxin-6-yl]-11-hydroxy-1-oxo-2,4,6-dodecatrien-1-yl]-L-arginine

CAS Registry Number®

115204-07-4

CAS Name

N2-[(2E,4E,6E,11R)-12-[(4S,4aS,6R,8S,8aR)-Hexahydro-4-[[(2S)-2-hydroxy-2-[(2R,5R,6R)-tetrahydro-2-methoxy-5,6-dimethyl-4-methylene-2H-pyran-2-yl]acetyl]amino]-8-methoxy-7,7-dimethylpyrano[3,2-d]-1,3-dioxin-6-yl]-11-hydroxy-1-oxo-2,4,6-dodecatrien-1-yl]-L-arginine

Molecular Formula

C39H63N5O12

Molecular Mass

793.94

Cite this Page

N2-[(2E,4E,6E,11R)-12-[(4S,4aS,6R,8S,8aR)-Hexahydro-4-[[(2S)-2-hydroxy-2-[(2R,5R,6R)-tetrahydro-2-methoxy-5,6-dimethyl-4-methylene-2H-pyran-2-yl]acetyl]amino]-8-methoxy-7,7-dimethylpyrano[3,2-d]-1,3-dioxin-6-yl]-11-hydroxy-1-oxo-2,4,6-dodecatrien-1-yl]-L-arginine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=115204-07-4 (retrieved 2024-11-29) (CAS RN: 115204-07-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H63N5O12/c1-23-21-39(52-7,56-25(3)24(23)2)32(47)34(48)44-35-31-30(53-22-54-35)33(51-6)38(4,5)28(55-31)20-26(45)16-13-11-9-8-10-12-14-18-29(46)43-27(36(49)50)17-15-19-42-37(40)41/h8-10,12,14,18,24-28,30-33,35,45,47H,1,11,13,15-17,19-22H2,2-7H3,(H,43,46)(H,44,48)(H,49,50)(H4,40,41,42)/b9-8+,12-10+,18-14+/t24-,25-,26-,27+,28-,30+,31+,32-,33-,35+,39-/m1/s1

InChIKey

InChIKey=YWUNVHXKGMPHDM-AMTQNMNTSA-N

SMILES

N(C([C@@H](O)[C@@]1(OC)CC(=C)[C@@H](C)[C@@H](C)O1)=O)[C@@H]2[C@@]3([C@@]([C@@H](OC)C(C)(C)[C@@H](C[C@@H](CCC/C=C/C=C/C=C/C(N[C@@H](CCCNC(=N)N)C(O)=O)=O)O)O3)(OCO2)[H])[H]

Canonical SMILES

O=C(O)C(NC(=O)C=CC=CC=CCCCC(O)CC1OC2C(OCOC2C(OC)C1(C)C)NC(=O)C(O)C3(OC)OC(C)C(C(=C)C3)C)CCCNC(=N)N

Other Names for this Substance

  • L-Arginine, N2-[(2E,4E,6E,11R)-12-[(4S,4aS,6R,8S,8aR)-hexahydro-4-[[(2S)-2-hydroxy-2-[(2R,5R,6R)-tetrahydro-2-methoxy-5,6-dimethyl-4-methylene-2H-pyran-2-yl]acetyl]amino]-8-methoxy-7,7-dimethylpyrano[3,2-d]-1,3-dioxin-6-yl]-11-hydroxy-1-oxo-2,4,6-dodecatrien-1-yl]-
  • L-Arginine, N2-[12-[hexahydro-4-[[hydroxy(tetrahydro-2-methoxy-5,6-dimethyl-4-methylene-2H-pyran-2-yl)acetyl]amino]-8-methoxy-7,7-dimethylpyrano[3,2-d]-1,3-dioxin-6-yl]-11-hydroxy-1-oxo-2,4,6-dodecatrienyl]-, [4S-[4α[R*(2S*,5S*,6S*)],4aα,6α(2E,4E,6E,11S*),8α,8aα]]-
  • L-Arginine, N2-[(2E,4E,6E,11R)-12-[(4S,4aS,6R,8S,8aR)-hexahydro-4-[[(2S)-hydroxy[(2R,5R,6R)-tetrahydro-2-methoxy-5,6-dimethyl-4-methylene-2H-pyran-2-yl]acetyl]amino]-8-methoxy-7,7-dimethylpyrano[3,2-d]-1,3-dioxin-6-yl]-11-hydroxy-1-oxo-2,4,6-dodecatrienyl]-
  • Pyrano[3,2-d]-1,3-dioxin, L-arginine deriv.
  • N2-[(2E,4E,6E,11R)-12-[(4S,4aS,6R,8S,8aR)-Hexahydro-4-[[(2S)-2-hydroxy-2-[(2R,5R,6R)-tetrahydro-2-methoxy-5,6-dimethyl-4-methylene-2H-pyran-2-yl]acetyl]amino]-8-methoxy-7,7-dimethylpyrano[3,2-d]-1,3-dioxin-6-yl]-11-hydroxy-1-oxo-2,4,6-dodecatrien-1-yl]-L-arginine

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