(Q105299620)

English

(1R,2S,3R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4a-(hydroxymethyl)-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-3,10-diol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4a-(hydroxymethyl)-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-3,10-diol

1 reference

based on heuristic

inferred from SMILES

mass

458.37599546 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₃

0 references

canonical SMILES

OCC12CCC3(C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C(C)C(C)C(O)C1)C

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isomeric SMILES

C[C@@H]1[C@H](O)C[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C

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found in taxon

Origanum dictamnus

1 reference

stated in

Triterpenes from amaracus dictamnus

Identifiers

InChI

InChI=1S/C30H50O3/c1-18-19(2)25-20-8-9-23-27(5)12-11-24(33)26(3,4)22(27)10-13-29(23,7)28(20,6)14-15-30(25,17-31)16-21(18)32/h8,18-19,21-25,31-33H,9-17H2,1-7H3/t18-,19-,21+,22-,23+,24-,25-,27-,28+,29+,30-/m0/s1

0 references

InChIKey

VZBMIWQZAPKFOV-HSHNGXRTSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105299620)

(1R,2S,3R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4a-(hydroxymethyl)-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-3,10-diol

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Identifiers

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