(Q105375651)

English

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

chemical compound

In more languages

Statements

type of chemical entity

0 references

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

1 reference

based on heuristic

inferred from SMILES

410.3912516 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀

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canonical SMILES

C1=C2C(CCC3C2(C)CCCC3(C)C)C4(C)CCC5(C)C(CCC5C4(C)C1)C(C)C

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isomeric SMILES

CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@H](CC[C@@H]5C(C)(C)CCC[C@]45C)[C@@]3(C)CC[C@]12C

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1 reference

Leaf surface terpenoids of the tree fernLophosoria quadripinnata

Polypodium fauriei

1 reference

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

Polypodium virginianum

1 reference

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

Polypodium vulgare

1 reference

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

Identifiers

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/h14,20-21,23-25H,9-13,15-19H2,1-8H3/t21-,23+,24-,25-,27-,28-,29-,30+/m1/s1

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ZHDRLFGZQZCZKX-XFNCJXBLSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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