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Substance Name: Paspaline
RN: 11024-56-9
UNII: 3Q9SGU351D
InChIKey: WLAIEIMDXUAGPY-HSECPPETSA-N

Molecular Formula

  • C28-H39-N-O2

Molecular Weight

  • 421.621
 
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Names and Synonyms

Name of Substance

  • Paspaline

Synonym

  • UNII-3Q9SGU351D

Systematic Name

  • 2H-1-Benzopyrano(5',6':6,7)indeno(1,2-b)indole-2-methanol, 3,4,4a,4b,5,6,6a,7,12,12b,12c,13,14,14a-tetradecahydro-alpha,alpha,4a,12b,12c-pentamethyl-, (2S-(2alpha,4aalpha,4bbeta,6aalpha,12bbeta,12calpha,14abeta))-

Registry Numbers

CAS Registry Number

  • 11024-56-9

FDA UNII

  • 3Q9SGU351D

System Generated Number

  • 0011024569

Structure Descriptors

InChI

1S/C28H39NO2/c1-25(2,30)22-12-14-26(3)21-11-10-17-16-19-18-8-6-7-9-20(18)29-24(19)28(17,5)27(21,4)15-13-23(26)31-22/h6-9,17,21-23,29-30H,10-16H2,1-5H3/t17-,21-,22-,23-,26-,27-,28+/m0/s1

InChIKey

WLAIEIMDXUAGPY-HSECPPETSA-N

Smiles

c12[C@@]3([C@H](Cc1c1c(cccc1)[nH]2)CC[C@H]1[C@@]2([C@H](CC[C@@]31C)O[C@@H](CC2)C(C)(O)C)C)C