(Q105028655)

English

(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aS,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene

chemical compound

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instance of

type of chemical entity

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1 reference

410.3912516 dalton

1 reference

2 references

inferred from InChIKey

1 reference

1 reference

(3R,3aR,5aR,5bR,7aS,11aS,11bR,13aS,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene

1 reference

based on heuristic

inferred from InChI

(3S,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene

1 reference

based on heuristic

inferred from InChI

(17alpha,21alpha)-Hopan-22(29)-ene

1 reference

based on heuristic

inferred from InChI

(3S,3aR,5aR,5bR,7aS,11aS,11bR,13aS,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀

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canonical SMILES

C=C(C)C1CCC2(C)C1CCC3(C)C2CCC4C5(C)CCCC(C)(C)C5CCC43C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C

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found in taxon

Davallia mariesii

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stated in

Fern constituents: Two new triterpenoid hydrocarbons, hop-16-ene and isohop-22(29)-ene, isolated from Davallia mariesii.

Davallia trichomanoides

1 reference

stated in

Fern constituents: Two new triterpenoid hydrocarbons, hop-16-ene and isohop-22(29)-ene, isolated from Davallia mariesii.

Davallia bullata

1 reference

stated in

Fern constituents: Two new triterpenoid hydrocarbons, hop-16-ene and isohop-22(29)-ene, isolated from Davallia mariesii.

Identifiers

InChI

InChI=1S/C30H50/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h21-25H,1,9-19H2,2-8H3/t21-,22-,23-,24-,25+,27-,28-,29+,30+/m0/s1

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InChIKey

HHXYJYBYNZMZKX-NPWCZNFISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HHXYJYBYNZMZKX-NPWCZNFISA-N

(Q105028655)

(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aS,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene

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