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trachelosperogenin B

Go to external page http://purl.obolibrary.org/obo/CHEBI_132819

A pentacyclic triterpenoid that is urs-12-ene carrying a carboxy substituent at position 28 as well as five hydroxy substituents at positions 2, 3, 19, 23 and 24 (the 2alpha,3beta stereoisomer).

Term info

Label

trachelosperogenin B

Synonyms
  • 2alpha,3beta,19,23,24-pentahydroxyurs-12-en-28-oic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
2alpha,3beta,19,23,24-pentahydroxyurs-12-en-28-oic acid [ IUPAC ]

charge

0

formula

C30H48O7

has obo namespace

chebi_ontology

has related synonym

(2alpha,3beta)-2,3,19,23,24-pentahydroxyurs-12-en-28-oic acid

id

CHEBI:132819

inchi

InChI=1S/C30H48O7/c1-17-8-11-29(24(35)36)13-12-26(3)18(22(29)28(17,5)37)6-7-20-25(2)14-19(33)23(34)30(15-31,16-32)21(25)9-10-27(20,26)4/h6,17,19-23,31-34,37H,7-16H2,1-5H3,(H,35,36)/t17-,19-,20-,21-,22-,23+,25-,26-,27-,28-,29+/m1/s1

inchikey

RIFJXBJHRYLRKR-YTOUHQNPSA-N

mass

520.699

monoisotopicmass

520.34000

smiles

O[C@@H]1C([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CC[C@H]([C@]5(O)C)C)C(O)=O)[H])=CC3)C)(CC2)C)[H])(C[C@H]1O)C)[H])(CO)CO