(Q104937742)

English

(3R,6R)-6-[(1S,3R,6R,8S,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylheptane-2,3-diol

chemical compound

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instance of

type of chemical entity

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subclass of

(3beta,24xi)-Cycloartane-3,24,25-triol

1 reference

based on heuristic

inferred from SMILES

mass

460.391645524 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,6R)-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]-2-methylheptane-2,3-diol

1 reference

based on heuristic

inferred from InChI

(24R)-Cycloartane-3alpha,24,25-triol

1 reference

based on heuristic

inferred from InChI

(3S,6R)-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylheptane-2,3-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₂O₃

0 references

canonical SMILES

OC(CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC54CC35CCC12C)C(O)(C)C

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isomeric SMILES

C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]45C[C@@]35CC[C@]12C

0 references

found in taxon

Aglaia elliptica

1 reference

stated in

Cycloartane triterpenoids from Aglaia harmsiana

Identifiers

InChI

InChI=1S/C30H52O3/c1-19(8-11-24(32)26(4,5)33)20-12-14-28(7)22-10-9-21-25(2,3)23(31)13-15-29(21)18-30(22,29)17-16-27(20,28)6/h19-24,31-33H,8-18H2,1-7H3/t19-,20-,21-,22+,23-,24-,27-,28+,29-,30+/m1/s1

0 references

InChIKey

BKRIPHYESIGPJC-OVYBDXPLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BKRIPHYESIGPJC-OVYBDXPLSA-N

(Q104937742)

(3R,6R)-6-[(1S,3R,6R,8S,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylheptane-2,3-diol

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