(Q104937065)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

410.3912516 dalton

1 reference

1 reference

C₃₀H₅₀

0 references

canonical SMILES

C1(=C2CCC3(C)C(CCC4C5(C)CCCC(C)(C)C5CCC43C)C2(C)CC1)C(C)C

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isomeric SMILES

CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]43C)[C@@]2(C)CC1

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found in taxon

Davallia mariesii

1 reference

stated in

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

Polypodium fauriei

1 reference

stated in

Fern constituents: Triterpenoids isolated from Polypodium vulgare, P. fauriei and P. virginianum

Polypodium virginianum

1 reference

stated in

Fern constituents: Triterpenoids isolated from Polypodium vulgare, P. fauriei and P. virginianum

Polypodium vulgare

1 reference

stated in

Fern constituents: Triterpenoids isolated from Polypodium vulgare, P. fauriei and P. virginianum

Davallia trichomanoides

1 reference

stated in

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

Goniophlebium niponicum

1 reference

stated in

Fern constituents: pentacyclic triterpenoids isolated from Polypodium niponicum and P. formosanum

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/h20,23-25H,9-19H2,1-8H3/t23-,24+,25-,27-,28-,29+,30+/m0/s1

0 references

InChIKey

BJFPMDGPOFJGIR-BUOVYTDBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BJFPMDGPOFJGIR-BUOVYTDBSA-N

(Q104937065)

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

Statements

Identifiers

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