(Q105217047)

English

(1'R,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S,18'R,19'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-16',19'-diol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(5R,9'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-16',19'-diol

1 reference

based on heuristic

inferred from SMILES

mass

432.32395988799993 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

Neochlorogenin

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

C₂₇H₄₄O₄

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canonical SMILES

OC1CCC2(C)C3CCC4(C)C(CC5OC6(OCC(C)CC6)C(C)C54)C3CC(O)C2C1

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isomeric SMILES

C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C[C@H](O)[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2

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Identifiers

InChI

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-/m1/s1

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InChIKey

PZNPHSFXILSZTM-OERKBYOGSA-N

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PubChem CID

21155668

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

PZNPHSFXILSZTM-OERKBYOGSA-N

1 reference

(Q105217047)

(1'R,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S,18'R,19'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-16',19'-diol

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