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Substance Name: Phyllactone A
RN: 145613-54-3
InChIKey: ASNLHWDCHRXQBN-CSYAWAKVSA-N

Note

  • 20,24-bishomoscalarane sesterterpenes from the sponge Phyllospongia foliascens; phyllactone A (26 alpha-isomer); phyllactone B (26 beta-isomer).

Molecular Formula

  • C32-H50-O6

Molecular Weight

  • 530.741
 
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Names and Synonyms

Name of Substance

  • Phyllactone A

Synonym

  • Phyllactone B

Systematic Name

  • D(17a)-Homopregn-17-ene-17a-carboxylic acid, 4-ethyl-16,20-dihydroxy-12-((3-hydroxy-1-oxopentyl)oxy)-4,8-dimethyl-, gamma-lactone, (4beta,5alpha,12beta,16alpha,20R)-

Registry Numbers

CAS Registry Number

  • 145613-54-3

System Generated Number

  • 0145613543

Structure Descriptors

InChI

1S/C32H50O6/c1-8-19(33)15-25(35)38-24-17-22-30(5)13-10-12-29(4,9-2)21(30)11-14-31(22,6)23-16-20(34)26-18(3)37-28(36)27(26)32(23,24)7/h18-24,33-34H,8-17H2,1-7H3/t18-,19?,20-,21+,22-,23+,24-,29+,30+,31-,32-/m1/s1

InChIKey

ASNLHWDCHRXQBN-CSYAWAKVSA-N

Smiles

CCC(CC(=O)O[C@@H]1C[C@@H]2[C@]3(CCC[C@]([C@@H]3CC[C@]2([C@H]4[C@]1(C5=C([C@H](OC5=O)C)[C@@H](C4)O)C)C)(C)CC)C)O