(Q104999531)

English

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

chemical compound

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instance of

type of chemical entity

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1 reference

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

1 reference

based on heuristic

inferred from SMILES

mass

410.3912516 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀

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canonical SMILES

C12=C(CCC3C1(C)CCCC3(C)C)C4(C)CCC5(C)C(CCC5C4(C)CC2)C(C)C

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isomeric SMILES

CC(C)[C@H]1CC[C@@H]2[C@]3(C)CCC4=C(CC[C@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@@]21C

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found in taxon

Goniophlebium formosanum

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C30H50/c1-20(2)21-10-13-25-28(21,6)18-19-29(7)23-11-12-24-26(3,4)15-9-16-27(24,5)22(23)14-17-30(25,29)8/h20-21,24-25H,9-19H2,1-8H3/t21-,24+,25+,27-,28-,29-,30+/m1/s1

0 references

InChIKey

FQCKEVJQPWDRQG-NJQPKZCPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FQCKEVJQPWDRQG-NJQPKZCPSA-N

(Q104999531)

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

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