(Q105292431)

English

(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-[(2S)-2-methyloxiran-2-yl]-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3a,5a,5b,8,8,11a-Hexamethyl-1-(2-methyloxiran-2-yl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

1 reference

based on heuristic

inferred from SMILES

mass

442.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₂

0 references

canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CCC4C5C(CCC5(C)CCC43C)C6(OC6)C)C1(C)C

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isomeric SMILES

CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]([C@@]4(C)CO4)CC[C@]3(C)CC[C@]21C

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found in taxon

Pseudocyphellaria rubella

1 reference

stated in

Lichens and Fungi. XVIII. Extractives From Pseudocyphellaria rubella

Identifiers

InChI

InChI=1S/C30H50O2/c1-25(2)21-11-15-29(6)22(27(21,4)14-12-23(25)31)9-8-19-24-20(30(7)18-32-30)10-13-26(24,3)16-17-28(19,29)5/h19-24,31H,8-18H2,1-7H3/t19-,20-,21+,22-,23+,24+,26-,27+,28-,29-,30-/m1/s1

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InChIKey

VSPYYMPPGGHPKR-VAURRCOBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VSPYYMPPGGHPKR-VAURRCOBSA-N

1 reference

(Q105292431)

(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-1-[(2S)-2-methyloxiran-2-yl]-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

Statements

Identifiers

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