(Q105225101)

English

[(3R,3aR,5aR,5bR,11aR,11bS,13aS,13bS)-3a,5a,8,8,13a-pentamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,9,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysen-11b-yl]methanol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(3a,5a,8,8,13a-Pentamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,9,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysen-11b-yl)methanol

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based on heuristic

inferred from SMILES

mass

426.38616622 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O

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canonical SMILES

OCC12CCC3(C)C4CCC(C(C)C)C4(C)CCC3(C)C2CC=C5C1CCCC5(C)C

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isomeric SMILES

CC(C)[C@H]1CC[C@@H]2[C@]3(C)CC[C@@]4(CO)[C@@H]5CCCC(C)(C)C5=CC[C@@H]4[C@@]3(C)CC[C@@]21C

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found in taxon

Adiantum abscissum

1 reference

stated in

Fern Constituents: Adiantum cuneatum. II. Six New Triterpenolds, Neohop-18-en-12.ALPHA.-ol, 13-Epineohop-18-en-12.ALPHA.-ol, Neohop-13(18)-en-19.ALPHA.-ol, Fern-7-en-25-ol, Fern-9(11)-en-25-ol, and Adian-5-en-25-ol.

Adiantum raddianum

1 reference

stated in

Fern Constituents: Adiantum cuneatum. II. Six New Triterpenolds, Neohop-18-en-12.ALPHA.-ol, 13-Epineohop-18-en-12.ALPHA.-ol, Neohop-13(18)-en-19.ALPHA.-ol, Fern-7-en-25-ol, Fern-9(11)-en-25-ol, and Adian-5-en-25-ol.

Doryopteris raddiana

1 reference

stated in

Fern Constituents: Adiantum cuneatum. II. Six New Triterpenolds, Neohop-18-en-12.ALPHA.-ol, 13-Epineohop-18-en-12.ALPHA.-ol, Neohop-13(18)-en-19.ALPHA.-ol, Fern-7-en-25-ol, Fern-9(11)-en-25-ol, and Adian-5-en-25-ol.

Identifiers

InChI

InChI=1S/C30H50O/c1-20(2)21-10-12-24-27(21,5)15-16-29(7)25-13-11-22-23(9-8-14-26(22,3)4)30(25,19-31)18-17-28(24,29)6/h11,20-21,23-25,31H,8-10,12-19H2,1-7H3/t21-,23-,24+,25-,27-,28+,29-,30-/m1/s1

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InChIKey

QOSPOIINXBFFLA-JLVQKPIHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QOSPOIINXBFFLA-JLVQKPIHSA-N

(Q105225101)

[(3R,3aR,5aR,5bR,11aR,11bS,13aS,13bS)-3a,5a,8,8,13a-pentamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,9,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysen-11b-yl]methanol

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