(Q105309110)

English

(1S,4R,5R,6R,8R,10S,12S,13S,16R,18S,21R)-4,6,12,17,17-pentamethyl-8-(2-methylprop-1-enyl)-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-18-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4,6,12,17,17-Pentamethyl-8-(2-methylprop-1-enyl)-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-18-ol

1 reference

based on heuristic

inferred from SMILES

mass

440.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,4R,5R,6R,8S,10S,12S,13S,16R,18S,21R)-4,6,12,17,17-pentamethyl-8-(2-methylprop-1-enyl)-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-18-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₂

0 references

canonical SMILES

OC1CCC23CC43CCC5(C)C6C(OC(C=C(C)C)CC6C)CC5(C)C4CCC2C1(C)C

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isomeric SMILES

CC(C)=C[C@H]1C[C@@H](C)[C@H]2[C@H](C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)O1

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found in taxon

Lindheimera texana

1 reference

stated in

Cycloartanes from Lindheimera texana

Identifiers

InChI

InChI=1S/C30H48O2/c1-18(2)14-20-15-19(3)25-21(32-20)16-28(7)23-9-8-22-26(4,5)24(31)10-11-29(22)17-30(23,29)13-12-27(25,28)6/h14,19-25,31H,8-13,15-17H2,1-7H3/t19-,20+,21+,22+,23+,24+,25+,27-,28+,29-,30+/m1/s1

0 references

InChIKey

WNIWQBGWUYHKHJ-LCUAWKNSSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105309110)

(1S,4R,5R,6R,8R,10S,12S,13S,16R,18S,21R)-4,6,12,17,17-pentamethyl-8-(2-methylprop-1-enyl)-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-18-ol

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