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Substance Name: Agosterol A
RN: 213549-32-7
InChIKey: SUIRSZOPEPPNGJ-JGEDILIOSA-N

Note

  • From marine sponge Spongia sp.

Molecular Formula

  • C33-H52-O8

Molecular Weight

  • 576.7658
 
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Names and Synonyms

Results Name

  • Agosterol A

Synonym

  • Agosterol A

Systematic Name

  • Cholest-7-ene-3,4,6,11,22-pentol, 3,4,6-triacetate, (3beta,4beta,5alpha,6alpha,11alpha,22R)-

Registry Numbers

CAS Registry Number

  • 213549-32-7

System Generated Number

  • 0213549327

Structure Descriptors

InChI

1S/C33H52O8/c1-17(2)9-12-25(37)18(3)23-10-11-24-22-15-28(40-20(5)35)30-31(41-21(6)36)27(39-19(4)34)13-14-32(30,7)29(22)26(38)16-33(23,24)8/h15,17-18,23-31,37-38H,9-14,16H2,1-8H3/t18-,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33+/m0/s1

InChIKey

SUIRSZOPEPPNGJ-JGEDILIOSA-N

Smiles

CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=C[C@H](OC(=O)C)[C@H]4[C@@H](OC(=O)C)[C@H](CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C)OC(=O)C