(3S,4S,21R)-21-Carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acid

CAS Registry Number®

72939-69-6

CAS Name

(3S,4S,21R)-21-Carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acid

Molecular Formula

C34H34N4O5

Molecular Mass

578.66

Cite this Page

(3S,4S,21R)-21-Carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=72939-69-6 (retrieved 2024-11-12) (CAS RN: 72939-69-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H34N4O5/c1-7-18-14(3)21-11-23-16(5)20(9-10-27(39)40)31(37-23)29-30(34(42)43)33(41)28-17(6)24(38-32(28)29)13-26-19(8-2)15(4)22(36-26)12-25(18)35-21/h7,11-13,16,20,30,35,38H,1,8-10H2,2-6H3,(H,39,40)(H,42,43)/b21-11?,22-12-,23-11-,24-13-,25-12?,26-13?,31-29?/t16-,20-,30+/m0/s1

InChIKey

InChIKey=HSGTVFFMFUJNOZ-XGIKDZPFSA-N

SMILES

C(O)(=O)[C@@H]1C=2C3=C(C1=O)C(C)=C(N3)C=C4C(CC)=C(C)C(=N4)C=C5NC(=CC6=NC2[C@@H](CCC(O)=O)[C@@H]6C)C(C)=C5C=C

Canonical SMILES

O=C(O)CCC1C2=NC(=CC=3NC(C=C4N=C(C=C5NC=6C(C(=O)C(C(=O)O)C62)=C5C)C(=C4C)CC)=C(C=C)C3C)C1C

Other Names for this Substance

  • 3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, (3S,4S,21R)-
  • 3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, [3S-(3α,4β,21β)]-
  • (3S,4S,21R)-21-Carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acid
  • Chlorophyllin

Deleted or Replaced CAS Registry Numbers

693207-79-3

CAS INSIGHTSTM
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