(Q105196555)

English

(3R,5R)-5-[(2R)-2-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]propyl]-3-methyloxolan-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-[2-(6-Hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)propyl]-3-methyloxolan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

456.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(23R,25R)-23,26-Epoxy-3alpha-hydroxy-9beta,19-cyclolanostan-26-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₃

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canonical SMILES

O=C1OC(CC1C)CC(C)C2CCC3(C)C4CCC5C(C)(C)C(O)CCC65CC46CCC23C

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isomeric SMILES

C[C@@H]1C[C@@H](C[C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)OC1=O

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found in taxon

Abies pinsapo subsp. marocana

1 reference

stated in

Diterpenoids and cyclolanostanolides from Abies marocana

Identifiers

InChI

InChI=1S/C30H48O3/c1-18(15-20-16-19(2)25(32)33-20)21-9-11-28(6)23-8-7-22-26(3,4)24(31)10-12-29(22)17-30(23,29)14-13-27(21,28)5/h18-24,31H,7-17H2,1-6H3/t18-,19-,20-,21-,22+,23+,24+,27-,28+,29-,30+/m1/s1

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InChIKey

OPTKQLIQKNCALM-WLDFZIQESA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105196555)

(3R,5R)-5-[(2R)-2-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]propyl]-3-methyloxolan-2-one

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Identifiers

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