(Q104956926)

English

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

chemical compound

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instance of

type of chemical entity

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1 reference

3-isopropyl-3a,5a,5b,8,8,11a-hexamethyl-1H,2H,3H,4H,5H,6H,7H,7aH,9H,10H,11H,11bH,12H,13bH-cyclopenta[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

(17R)-17-Methyl-28-nor-5alpha-hopa-12-ene

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀

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canonical SMILES

C1=C2C3CCC(C(C)C)C3(C)CCC2(C)C4(C)CCC5C(C)(C)CCCC5(C)C4C1

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isomeric SMILES

CC(C)[C@H]1CC[C@@H]2C3=CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]21C

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found in taxon

Adiantum caudatum

1 reference

stated in

Triterpenoids from Adiantum caudatum

Identifiers

InChI

InChI=1S/C30H50/c1-20(2)21-10-11-22-23-12-13-25-28(6)16-9-15-26(3,4)24(28)14-17-30(25,8)29(23,7)19-18-27(21,22)5/h12,20-22,24-25H,9-11,13-19H2,1-8H3/t21-,22-,24+,25-,27+,28+,29-,30-/m1/s1

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InChIKey

CFSDWXPIIWGIDB-CFRKKCHQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CFSDWXPIIWGIDB-CFRKKCHQSA-N

(Q104956926)

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

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