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Substance Name: Crassicaulisine
RN: 83694-44-4
InChIKey: FPECZWKKKKZPPP-KXMOZJSXSA-N

Note

  • Isolated from the red alga Chondria crassicaulis; this is not identical to the aconitane analog by the same name.

Molecular Weight

  • 453.572
 
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Names and Synonyms

Results Name

  • Crassicaulisine

Synonym

  • Crassicaulisine

Systematic Name

  • Aconitane-1,8,14,15-tetrol, 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-, (1alpha,6alpha,14alpha,15beta,16beta)-

Registry Numbers

CAS Registry Number

  • 83694-44-4

System Generated Number

  • 0083694444

Structure Descriptors

InChI

1S/C24H39NO7/c1-5-25-9-22(10-30-2)7-6-13(26)23-12-8-11-16(27)14(12)24(29,21(28)17(11)31-3)15(20(23)25)18(32-4)19(22)23/h11-21,26-29H,5-10H2,1-4H3/t11-,12+,13-,14+,15?,16-,17+,18-,19+,20?,21+,22-,23?,24+/m0/s1

InChIKey

FPECZWKKKKZPPP-KXMOZJSXSA-N

Smiles

O[C@H]1[C@@]2([C@@H]3[C@H](OC)[C@H]4[C@@]5([C@H](CC[C@@]4(C[N@@]([C@@H]35)CC)COC)O)[C@@H]3C[C@H]([C@H]1OC)[C@@H](O)[C@H]23)O