(Q105036232)

English

[(1S,3aR,5aS,5bR,7aR,9S,11aR,11bR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysen-9-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(3a,5a,5b,8,8,11a-Hexamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysen-9-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

468.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,3aR,5aS,5bR,7aS,9S,11aR,11bR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysen-9-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₂H₅₂O₂

0 references

canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CC=C4C5C(CCC5(C)CCC43C)C(C)C)C1(C)C)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@H]4[C@H](C(C)C)CC[C@]4(C)CC[C@]23C)C1(C)C

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found in taxon

Richterago polymorpha

1 reference

stated in

Modified eudesmanolides and other sesquiterpene lactones from Wunderlichia mirabilis and Actinoseris polymorpha

Brachylaena discolor var. rotundata

1 reference

stated in

Sesquiterpene lactones from Brachylaena species

Brachylaena discolor var. transvaalensis

1 reference

stated in

Sesquiterpene lactones from Brachylaena species

Lasiolaena santosii

1 reference

stated in

New germacranolides, guaianolides and rearranged Guaianolides from Lasiolaena santosii

Mattfeldanthus andrade-limae

1 reference

stated in

A germacranolide from Mattfeldanthus nobilis

Paranephelius uniflorus

1 reference

stated in

Unusual phenylpropanoid glycosides from paranephelius uniflorus

Curio ficoides

1 reference

stated in

Terpen-derivate aus Senecio-arten

Seris polymorpha

1 reference

stated in

Modified eudesmanolides and other sesquiterpene lactones from Wunderlichia mirabilis and Actinoseris polymorpha

Vernonia arkansana

1 reference

stated in

Allenic germacranolides, bourbonene derived lactones and other constituents from Vernonia species

Cyanthillium patulum

1 reference

stated in

Allenic germacranolides, bourbonene derived lactones and other constituents from Vernonia species

Vernonanthura fagifolia

1 reference

stated in

Allenic germacranolides, bourbonene derived lactones and other constituents from Vernonia species

Vernonanthura polyanthes

1 reference

stated in

Allenic germacranolides, bourbonene derived lactones and other constituents from Vernonia species

Lessingianthus compactiflorus

1 reference

stated in

Hirsutinolides and other sesquiterpene lactones from Vernonia species

Pseudopegolettia tenella

1 reference

stated in

Hirsutinolides and other sesquiterpene lactones from Vernonia species

Identifiers

InChI

InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h10,20,22,24-27H,11-19H2,1-9H3/t22-,24-,25 ,26-,27 ,29 ,30-,31 ,32 /m0/s1

0 references

InChIKey

IAPXYCMXNFXQLY-BDKZPTLKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IAPXYCMXNFXQLY-BDKZPTLKSA-N

(Q105036232)

[(1S,3aR,5aS,5bR,7aR,9S,11aR,11bR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysen-9-yl] acetate

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