(Q105265244)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

6-[6-Hydroxy-7-(hydroxymethyl)-7,12,16-trimethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylheptane-2,3-diol

1 reference

based on heuristic

inferred from SMILES

mass

476.386560144 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₂O₄

0 references

canonical SMILES

OCC1(C)C(O)CCC23CC43CCC5(C)C(CCC5(C)C4CCC12)C(C)CCC(O)C(O)(C)C

0 references

isomeric SMILES

C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@](C)(CO)[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/C30H52O4/c1-19(7-10-23(32)25(2,3)34)20-11-13-28(6)22-9-8-21-26(4,18-31)24(33)12-14-29(21)17-30(22,29)16-15-27(20,28)5/h19-24,31-34H,7-18H2,1-6H3/t19-,20-,21-,22+,23-,24+,26+,27-,28+,29-,30+/m1/s1

0 references

InChIKey

TVFNNFRUUUHTMH-HWYFVMHGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TVFNNFRUUUHTMH-HWYFVMHGSA-N

(Q105265244)

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

Statements

Identifiers

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