(Q104936293)

English

(1R,4R,9R,10R,13R,14S,17R,19R,22S)-17-hydroxy-5,5,9,14,18,18-hexamethyl-23-oxahexacyclo[20.2.1.01,10.04,9.013,22.014,19]pentacosan-6-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

17-Hydroxy-5,5,9,14,18,18-hexamethyl-23-oxahexacyclo[20.2.1.01,10.04,9.013,22.014,19]pentacosan-6-one

1 reference

based on heuristic

inferred from SMILES

mass

456.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,4R,9R,10R,13R,14S,17S,19R,22S)-17-hydroxy-5,5,9,14,18,18-hexamethyl-23-oxahexacyclo[20.2.1.01,10.04,9.013,22.014,19]pentacosan-6-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₃

0 references

canonical SMILES

O=C1CCC2(C)C(CCC34COC5(CCC6C(C)(C)C(O)CCC6(C)C5CCC23)C4)C1(C)C

0 references

isomeric SMILES

CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]13CO[C@@]4(CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@H]12)C3

0 references

found in taxon

Primula rosea

1 reference

stated in

Three bridged 14β,26-epoxy-C-homo-pentacyclic triterpenes from Primula rosea

Identifiers

InChI

InChI=1S/C30H48O3/c1-25(2)19-9-15-29-17-30(33-18-29)16-10-20-26(3,4)24(32)12-14-28(20,6)22(30)8-7-21(29)27(19,5)13-11-23(25)31/h19-22,24,32H,7-18H2,1-6H3/t19-,20-,21+,22+,24+,27-,28-,29-,30-/m0/s1

0 references

InChIKey

BHXIJEIUMAQMTA-SFLSPSLGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BHXIJEIUMAQMTA-SFLSPSLGSA-N

(Q104936293)

(1R,4R,9R,10R,13R,14S,17R,19R,22S)-17-hydroxy-5,5,9,14,18,18-hexamethyl-23-oxahexacyclo[20.2.1.01,10.04,9.013,22.014,19]pentacosan-6-one

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Identifiers

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