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Substance Name: Bonellin
RN: 62888-19-1
InChIKey: LWZGYGCHBABDBK-FZVRLSMISA-N

Note

  • Green pigment from Bonellia viridis.

Molecular Formula

  • C31-H34-N4-O4

Molecular Weight

  • 526.634
 
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Names and Synonyms

Name of Substance

  • Bonellin

Systematic Name

  • 21H,23H-Porphine-2,18-dipropanoic acid, 2,3-dihydro-3,3,7,12,17-pentamethyl-, (S)-

Registry Numbers

CAS Registry Number

  • 62888-19-1

System Generated Number

  • 0062888191

Structure Descriptors

InChI

1S/C31H34N4O4/c1-16-10-20-13-25-18(3)21(6-8-29(36)37)26(34-25)14-27-22(7-9-30(38)39)31(4,5)28(35-27)15-24-17(2)11-19(33-24)12-23(16)32-20/h10-15,22,33-34H,6-9H2,1-5H3,(H,36,37)(H,38,39)/b19-12-,20-13-,23-12-,24-15-,25-13-,26-14-,27-14-,28-15-/t22-/m1/s1

InChIKey

LWZGYGCHBABDBK-FZVRLSMISA-N

Smiles

n1c2[C@@H](CCC(=O)O)C(C)(c1cc1c(cc(cc3C(=Cc(cc4[nH]c(c(c4C)CCC(O)=O)c2)n3)C)[nH]1)C)C