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Substance Name: Missourin
RN: 102818-56-4
InChIKey: MQKWYZOQVYYVSK-HXDGROSGSA-N

Note

  • From Iris missouriensis.

Molecular Formula

  • C30-H48-O3

Molecular Weight

  • 456.7062
 
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Names and Synonyms

Name of Substance

  • Missourin

Systematic Name

  • A'-Neogammacer-22(30)-en-29-oic acid, 6-hydroxy-, (6alpha)-

Registry Numbers

CAS Registry Number

  • 102818-56-4

System Generated Number

  • 0102818564

Structure Descriptors

InChI

1S/C30H48O3/c1-18(25(32)33)19-11-15-27(4)20(19)12-16-29(6)22(27)9-10-23-28(5)14-8-13-26(2,3)24(28)21(31)17-30(23,29)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21+,22-,23-,24+,27+,28-,29-,30-/m1/s1

InChIKey

MQKWYZOQVYYVSK-HXDGROSGSA-N

Smiles

C[C@]12CC[C@@H]([C@@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(C[C@@H]([C@@H]5[C@@]4(CCCC5(C)C)C)O)C)C)C(=C)C(=O)O