(Q105025997)

English

(1S,3R,8R,11S,12S,15R,16R)-15-[(2R,5R)-5,6-dimethylhept-6-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

15-(5,6-Dimethylhept-6-en-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

1 reference

based on heuristic

inferred from SMILES

(1S,3R,12S,15R,16R)-15-[(5S)-5,6-dimethylhept-6-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

1 reference

based on heuristic

inferred from SMILES

mass

438.38616622 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,3R,8S,11S,12S,15R,16R)-15-[(2S,5R)-5,6-dimethylhept-6-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

2 references

based on heuristic

inferred from InChIKey

1 reference

C₃₁H₅₀O

0 references

canonical SMILES

O=C1CCC23CC43CCC5(C)C(CCC5(C)C4CCC2C1(C)C)C(C)CCC(C(=C)C)C

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isomeric SMILES

C=C(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C

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found in taxon

Tillandsia fasciculata

1 reference

stated in

Triterpenoids from Tillandsia fasciculata

Goniophlebium formosanum

2 references

stated in

Fern constituents: Cycloartane triterpenoids and allied compounds from Polypodium formosanum and P. niponicum

stated in

FERN CONSTITUENTS: NEW CYCLOARTANE TRITERPENOIDS, (24R)-CYCLOLAUDENYL ACETATE AND (24R)-CYCLOMARGENYL ACETATE, AND THEIR CORRESPONDING ALCOHOLS AND KETONES, ISOLATED FROMPOLYPODIUM FORMOSANUM

Identifiers

InChI

InChI=1S/C31H50O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h21-25H,1,9-19H2,2-8H3/t21-,22-,23-,24+,25+,28-,29+,30-,31+/m1/s1

0 references

InChIKey

HCUKNXBLSIDEJS-IGIKESJTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HCUKNXBLSIDEJS-IGIKESJTSA-N

(Q105025997)

(1S,3R,8R,11S,12S,15R,16R)-15-[(2R,5R)-5,6-dimethylhept-6-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

Statements

Identifiers

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