(Q104920137)

English

(4R,4aS,6aR,6aS,6bR,8aS,12aS,14aR,14bR)-8a,14a-bis(hydroxymethyl)-4,4a,6a,6b,11,11-hexamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

8a,14a-bis(hydroxymethyl)-4,4a,6a,6b,11,11-hexamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

1 reference

based on heuristic

inferred from SMILES

mass

458.37599546 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₃

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canonical SMILES

O=C1CCC2C(C)(CCC3C4(C)CCC5(CO)CCC(C)(C)CC5C4(C)CCC23CO)C1C

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isomeric SMILES

C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(CO)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(CO)CC[C@]12C

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found in taxon

Elaeodendron glaucum

1 reference

stated in

D:A-Friedooleananes From Elaeodendron glaucum

Identifiers

InChI

InChI=1S/C30H50O3/c1-20-21(33)7-8-22-26(20,4)10-9-23-27(5)12-15-29(18-31)14-11-25(2,3)17-24(29)28(27,6)13-16-30(22,23)19-32/h20,22-24,31-32H,7-19H2,1-6H3/t20-,22+,23+,24-,26+,27+,28-,29+,30+/m0/s1

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InChIKey

AWMRHFLVHKGHMJ-XWXOGUGMSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104920137)

(4R,4aS,6aR,6aS,6bR,8aS,12aS,14aR,14bR)-8a,14a-bis(hydroxymethyl)-4,4a,6a,6b,11,11-hexamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one

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Identifiers

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