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Substance Name: Nimbolin A
RN: 24480-41-9
InChIKey: GQNAMBZGINRMBH-NTCAYCPXSA-N

Molecular Formula

  • C39-H46-O8

Molecular Weight

  • 642.784
 
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Names and Synonyms

Results Name

  • Nimbolin A

Synonym

  • Nimbolin A

Systematic Name

  • Cinnamic acid, 17a-(3-furyl)-4,5,5',6-tetrahydro-1a,3a-dihydroxy-4b,8-dimethyl-13a-androsta-5,14-dieno(6,5,4-bc)furan-7-yl ester 1,3-diacetate

Registry Numbers

CAS Registry Number

  • 24480-41-9

System Generated Number

  • 0024480419

Structure Descriptors

InChI

1S/C39H46O8/c1-23(40)45-30-20-31(46-24(2)41)39(6)29-16-18-36(3)27(26-17-19-43-21-26)13-14-28(36)38(29,5)35(33-34(39)37(30,4)22-44-33)47-32(42)15-12-25-10-8-7-9-11-25/h7-12,14-15,17,19,21,27,29-31,33-35H,13,16,18,20,22H2,1-6H3/b15-12+

InChIKey

GQNAMBZGINRMBH-NTCAYCPXSA-N

Smiles

O(C(=O)C)[C@@H]1C[C@@H](OC(C)=O)[C@@]2([C@@H]3[C@@H](OC[C@@]13C)[C@@H](OC(\C=C\c1ccccc1)=O)[C@@]1(C=3[C@@](CC[C@@H]21)([C@@H](c1cocc1)CC3)C)C)C