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Substance Name: Neochlorogenin
RN: 511-91-1
InChIKey: PZNPHSFXILSZTM-UNARIRTPSA-N

Molecular Formula

  • C27-H44-O4

Molecular Weight

  • 432.6406
 
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Names and Synonyms

Results Name

  • Neochlorogenin

Synonym

  • Neochlorogenin

Systematic Name

  • 5alpha-Spirostan-3beta,6alpha-diol, (25S)-

Registry Numbers

CAS Registry Number

  • 511-91-1

System Generated Number

  • 0000511911

Structure Descriptors

InChI

1S/C27H44O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20-,21+,22-,23-,24-,25+,26-,27+/m0/s1

InChIKey

PZNPHSFXILSZTM-UNARIRTPSA-N

Smiles

C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@@H]([C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)C)C)OC1