(Q105278870)

English

[(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-5,5-dimethyl-6-methylideneoctan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

15-(5,5-dimethyl-6-methylideneoctan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

510.443681096 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₅₈O₂

0 references

canonical SMILES

O=C(OC1CCC23CC43CCC5(C)C(CCC5(C)C4CCC2C1(C)C)C(C)CCC(C(=C)CC)(C)C)C

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isomeric SMILES

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

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found in taxon

Polypodium virginianum

1 reference

stated in

Fern constituents: Cyclopodmenyl acetate, a cycloartanoid having a new 33-carbon skeleton, isolated from Polypodium vulgare.

Polypodium vulgare

1 reference

stated in

Fern constituents: Cyclopodmenyl acetate, a cycloartanoid having a new 33-carbon skeleton, isolated from Polypodium vulgare.

Identifiers

InChI

InChI=1S/C35H58O2/c1-11-24(3)30(5,6)17-14-23(2)26-15-18-33(10)28-13-12-27-31(7,8)29(37-25(4)36)16-19-34(27)22-35(28,34)21-20-32(26,33)9/h23,26-29H,3,11-22H2,1-2,4-10H3/t23-,26-,27+,28+,29+,32-,33+,34-,35+/m1/s1

0 references

InChIKey

UTMCOYCVYHNHLU-HLZHPGJHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UTMCOYCVYHNHLU-HLZHPGJHSA-N

1 reference

(Q105278870)

[(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-5,5-dimethyl-6-methylideneoctan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

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Identifiers

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