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Substance Name: Heteronemin
RN: 62008-04-2
InChIKey: GCGWIVLWDZJIGO-CFGFJSJZSA-N

Note

  • Antitubercular sesterterpene with anti-inflammatory and antineoplastic activities; from the Thai sponge Brachiaster sp.

Molecular Formula

  • C29-H44-O6

Molecular Weight

  • 502.687
 
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Names and Synonyms

Results Name

  • Heteronemin

Synonyms

  • Heteronemin
  • NSC 369049

Systematic Name

  • D-Homoandrostano(17,17a-c)furan-5',12,16-triol, 5',17a-dihydro-4,4,8-trimethyl-, 5',16-diacetate, (5alpha,5'alpha,12beta,16beta,17aalpha)-

Registry Numbers

CAS Registry Number

  • 62008-04-2

System Generated Number

  • 0062008042

Structure Descriptors

InChI

1S/C30H46O6/c1-17(31)35-20-15-29(7)28(6)13-10-21-26(3,4)11-9-12-27(21,5)22(28)14-23(33)30(29,8)24-19(20)16-34-25(24)36-18(2)32/h16,20-25,33H,9-15H2,1-8H3/t20-,21-,22+,23+,24?,25-,27-,28+,29-,30+/m0/s1

InChIKey

GCGWIVLWDZJIGO-CFGFJSJZSA-N

Smiles

C=12[C@H](C[C@@]3([C@@]([C@@H]2[C@@H](OC1)OC(=O)C)([C@H](O)C[C@H]1[C@@]3(CC[C@H]2C(CCC[C@@]12C)(C)C)C)C)C)OC(=O)C