(Q105221273)

English

(4aR,6aR,6bS,7R,8S,8aS,9R,10R,12aS,14aR,14bR)-7,8,9,10-tetrahydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

7,8,9,10-tetrahydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one

1 reference

based on heuristic

inferred from SMILES

mass

504.345089256 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₆

0 references

canonical SMILES

O=C1CCC2(C)C(CCC3(C)C2CC=C4C5CC(C)(C)C(O)C(O)C5(CO)C(O)C(O)C43C)C1(C)C

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isomeric SMILES

CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@@]2(CO)[C@@H](O)[C@@H]1O

0 references

found in taxon

Hydrocotyle ranunculoides

1 reference

stated in

Oleanane glycosides from Hydrocotyle ranunculoides

Identifiers

InChI

InChI=1S/C30H48O6/c1-25(2)14-17-16-8-9-19-27(5)12-11-20(32)26(3,4)18(27)10-13-28(19,6)29(16,7)22(34)24(36)30(17,15-31)23(35)21(25)33/h8,17-19,21-24,31,33-36H,9-15H2,1-7H3/t17-,18-,19+,21-,22-,23-,24+,27-,28+,29-,30+/m0/s1

0 references

InChIKey

QIALAZVLXLEVEA-OSQMWACDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QIALAZVLXLEVEA-OSQMWACDSA-N

(Q105221273)

(4aR,6aR,6bS,7R,8S,8aS,9R,10R,12aS,14aR,14bR)-7,8,9,10-tetrahydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one

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