Micromeric Acid

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CAS Number

22477-85-6

Molecular Formula

C30H46O3

Molecular Weight

454.70

API Name

Micromeric acid

Chemical Information

Micromeric acid

Micromeric acid has been reported in Teucrium marum with data available.

CAS Number	22477-85-6
PubChem CID	15560533
IUPAC Name	(1R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,6a,6b,9,9,12a-hexamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Formula	C30H46O3
Molecular Weight	454.7
XLogP	6.5
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	33
Formal Charge	0
Complexity	916

SMILES

C[C@@H]1[C@H]2C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CCC1=C)C(=O)O)C)C)(C)C)O)C

InChI

InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,19,21-24,31H,1,9-17H2,2-7H3,(H,32,33)/t19-,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1

InChIKey

RSYAFUAKPCXDDM-SSMFGXPISA-N

Chemical Structure

2D Structure

CAS: 22477-85-6

CID: 15560533

Formula: C30H46O3

MW: 454.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	454.7
XLogP3	6.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	454.34469533
Monoisotopic Mass	454.34469533
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	916
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Micromeric Acid

Chemical Information

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