(Q105190167)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

460.355260016 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₈O₄

0 references

canonical SMILES

OCC12C(O)CC(C)(C)CC2C3=CCC4C(CCC5C(C)(C)C(O)CCC45C)C3(C)CC1O

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isomeric SMILES

CC1(C)C[C@H](O)[C@]2(CO)[C@@H](O)C[C@]3(C)C(=CC[C@H]4[C@H]3CC[C@H]3C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]2C1

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found in taxon

Myrtillocactus geometrizans

1 reference

stated in

Insect growth regulatory effects of some extracts and sterols from Myrtillocactus geometrizans (Cactaceae) against Spodoptera frugiperda and Tenebrio molitor

Identifiers

InChI

InChI=1S/C29H48O4/c1-25(2)13-20-19-8-7-17-18(9-10-21-26(3,4)22(31)11-12-27(17,21)5)28(19,6)15-24(33)29(20,16-30)23(32)14-25/h8,17-18,20-24,30-33H,7,9-16H2,1-6H3/t17-,18+,20-,21-,22-,23-,24-,27+,28-,29+/m0/s1

0 references

InChIKey

OEBJXRRXJFMAOZ-QIYWQNLESA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105190167)

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

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Identifiers

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