(Q104996711)

English

[(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R,5R)-5-ethyl-6-methylhept-6-en-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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Statements

instance of

type of chemical entity

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subclass of

[15-(5-Ethyl-6-methylhept-6-en-2-yl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

496.428031032 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₄H₅₆O₂

0 references

canonical SMILES

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

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isomeric SMILES

C=C(C)[C@H](CC)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

Goniophlebium mengtzeense

1 reference

stated in

Triterpenoids from the fern Goniophlebium mengtzeense

Goniophlebium formosanum

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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/C34H56O2/c1-10-25(22(2)3)12-11-23(4)26-15-17-32(9)28-14-13-27-30(6,7)29(36-24(5)35)16-18-33(27)21-34(28,33)20-19-31(26,32)8/h23,25-29H,2,10-21H2,1,3-9H3/t23-,25-,26-,27+,28+,29+,31-,32+,33-,34+/m1/s1

0 references

InChIKey

FKOIYZJFULCGFU-BACXILKFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FKOIYZJFULCGFU-BACXILKFSA-N

(Q104996711)

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

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