(Q105309785)

English

(1R,4R,5S,8S,10R,13R,14R,16R,17R,18S,19R,20S)-10-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[14.6.2.01,18.04,17.05,14.08,13]tetracosan-23-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

10-Hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[14.6.2.01,18.04,17.05,14.08,13]tetracosan-23-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,5S,8S,10S,13R,14R,16R,17R,18S,19R,20S)-10-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[14.6.2.01,18.04,17.05,14.08,13]tetracosan-23-one

1 reference

based on heuristic

inferred from InChIKey

(1S,4R,5R,8R,10R,13R,14R,16R,17S,18S,19S,20R)-10-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[14.6.2.01,18.04,17.05,14.08,13]tetracosan-23-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₃

0 references

canonical SMILES

O=C1OC2CC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C5(C)CCC16CCC(C)C(C)C6C25

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isomeric SMILES

C[C@H]1CC[C@@]23CC[C@]4(C)[C@@H]([C@@H]2[C@@H]1C)[C@@H](C[C@H]1[C@]4(C)CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]21C)OC3=O

0 references

found in taxon

Mallotus repandus

1 reference

stated in

Triterpenoids from Mallotus repandus: Three new δ-lactones

Identifiers

InChI

InChI=1S/C30H48O3/c1-17-8-13-30-15-14-29(7)24(23(30)18(17)2)19(33-25(30)32)16-21-27(5)11-10-22(31)26(3,4)20(27)9-12-28(21,29)6/h17-24,31H,8-16H2,1-7H3/t17-,18+,19+,20+,21+,22+,23-,24+,27-,28-,29+,30+/m0/s1

0 references

InChIKey

WPBGCPZWNLNRGV-PJANPJHBSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105309785)

(1R,4R,5S,8S,10R,13R,14R,16R,17R,18S,19R,20S)-10-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[14.6.2.01,18.04,17.05,14.08,13]tetracosan-23-one

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Identifiers

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