(Q105252631)

English

(3S,4R,4aR,6aR,6bS,8aS,12aS,14R,14aR,14bS)-4,8a-bis(hydroxymethyl)-14-methoxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4,8a-Bis(hydroxymethyl)-14-methoxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol

1 reference

based on heuristic

inferred from SMILES

mass

488.386560144 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₂O₄

0 references

canonical SMILES

OCC1(C)C(O)CCC2(C)C1CCC3(C)C2C(OC)C=C4C5CC(C)(C)CCC5(CO)CCC43C

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isomeric SMILES

CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@]3(CO)CC[C@@]2(C)[C@]2(C)CC[C@@H]3[C@](C)(CC[C@H](O)[C@@]3(C)CO)[C@@H]12

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found in taxon

Buddleja asiatica

1 reference

stated in

Two New Oleanane-type Triterpenoids from Buddleja asiatica

Identifiers

InChI

InChI=1S/C31H52O4/c1-26(2)12-14-31(19-33)15-13-29(5)20(21(31)17-26)16-22(35-7)25-27(3)10-9-24(34)28(4,18-32)23(27)8-11-30(25,29)6/h16,21-25,32-34H,8-15,17-19H2,1-7H3/t21-,22+,23+,24-,25+,27-,28-,29+,30+,31+/m0/s1

0 references

InChIKey

SGUIQUFTUUWMHF-YREGPQCPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SGUIQUFTUUWMHF-YREGPQCPSA-N

(Q105252631)

(3S,4R,4aR,6aR,6bS,8aS,12aS,14R,14aR,14bS)-4,8a-bis(hydroxymethyl)-14-methoxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol

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